1-[(2S)-4-methyl-1-[2-methylsulfinylcarbonyl-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-1-oxopentan-2-yl]indole-2-carboxamide

C22H29N5O5S — CID 165384477

IUPAC1-[(2S)-4-methyl-1-[2-methylsulfinylcarbonyl-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-1-oxopentan-2-yl]indole-2-carboxamide
SMILESCC(C)C[C@@H](C(=O)NN(C[C@@H]1CCNC1=O)C(=O)S(C)=O)n1c(C(N)=O)cc2ccccc21
InChIInChI=1S/C22H29N5O5S/c1-13(2)10-18(27-16-7-5-4-6-14(16)11-17(27)19(23)28)21(30)25-26(22(31)33(3)32)12-15-8-9-24-20(15)29/h4-7,11,13,15,18H,8-10,12H2,1-3H3,(H2,23,28)(H,24,29)(H,25,30)/t15-,18-,33?/m0/s1
InChIKeyZELYXQXQUIQEHV-IKJBJCPUSA-N
MW475.57 g/mol
LogP1.30
Rot. Bonds7

About 1-[(2S)-4-methyl-1-[2-methylsulfinylcarbonyl-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-1-oxopentan-2-yl]indole-2-carboxamide

1-[(2S)-4-methyl-1-[2-methylsulfinylcarbonyl-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-1-oxopentan-2-yl]indole-2-carboxamide (PubChem CID 165384477) has the molecular formula C22H29N5O5S and a molecular weight of 475.57 g/mol. Its IUPAC name is 1-[(2S)-4-methyl-1-[2-methylsulfinylcarbonyl-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-1-oxopentan-2-yl]indole-2-carboxamide.

Molecular Properties

Compound Name1-[(2S)-4-methyl-1-[2-methylsulfinylcarbonyl-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-1-oxopentan-2-yl]indole-2-carboxamide
PubChem CID165384477
Molecular FormulaC22H29N5O5S
Molecular Weight475.57 g/mol
Exact Mass475.19
IUPAC Name1-[(2S)-4-methyl-1-[2-methylsulfinylcarbonyl-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-1-oxopentan-2-yl]indole-2-carboxamide
SMILESCC(C)C[C@@H](C(=O)NN(C[C@@H]1CCNC1=O)C(=O)S(C)=O)n1c(C(N)=O)cc2ccccc21
InChIInChI=1S/C22H29N5O5S/c1-13(2)10-18(27-16-7-5-4-6-14(16)11-17(27)19(23)28)21(30)25-26(22(31)33(3)32)12-15-8-9-24-20(15)29/h4-7,11,13,15,18H,8-10,12H2,1-3H3,(H2,23,28)(H,24,29)(H,25,30)/t15-,18-,33?/m0/s1
InChIKeyZELYXQXQUIQEHV-IKJBJCPUSA-N
XLogP1.30
TPSA143.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 1-[(2S)-4-methyl-1-[2-methylsulfinylcarbonyl-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-1-oxopentan-2-yl]indole-2-carboxamide with MolForge

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Related Compounds

1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]indole-2-carboxamide
CID 167331699
1-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]indole-2-carboxamide
CID 162479368
N-[1-[2-(2-fluoroacetyl)-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 162739125
N-[(2R)-1-[2-(2-chloroacetyl)-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 162739148
N-[(2S)-1-[2-(2-chloroacetyl)-2-[(2-oxopyrrolidin-3-yl)methyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 162680131
N-[1-[2-(2-chloro-2-fluoroacetyl)-2-[(2-oxopyrrolidin-3-yl)methyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-1H-benzimidazole-2-carboxamide
CID 162739217
benzyl N-[(2S)-1-[2-(2-chloroacetyl)-2-[(2-oxopiperidin-3-yl)methyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]carbamate
CID 162680100
1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-phenylimidazole-2-carboxamide
CID 167333858
4-methoxy-N-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-2-propanoylhydrazinyl]pentan-2-yl]-1H-indole-2-carboxamide
CID 167534112
N-[(2S)-1-[[(2S)-4-(tert-butylamino)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-methylindole-2-carboxamide
CID 164731015
1-[(2S)-4,4-dimethyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]amino]pentan-2-yl]-5-fluoroindole-2-carboxamide
CID 167333802
1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]pyrrolo[3,2-c]pyridine-2-carboxamide
CID 162479484

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-methyl-1-[2-methylsulfinylcarbonyl-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-1-oxopentan-2-yl]indole-2-carboxamide?
The IUPAC name of 1-[(2S)-4-methyl-1-[2-methylsulfinylcarbonyl-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-1-oxopentan-2-yl]indole-2-carboxamide (CID 165384477) is 1-[(2S)-4-methyl-1-[2-methylsulfinylcarbonyl-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-1-oxopentan-2-yl]indole-2-carboxamide.
What is the SMILES notation for 1-[(2S)-4-methyl-1-[2-methylsulfinylcarbonyl-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-1-oxopentan-2-yl]indole-2-carboxamide?
The canonical SMILES for 1-[(2S)-4-methyl-1-[2-methylsulfinylcarbonyl-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-1-oxopentan-2-yl]indole-2-carboxamide is CC(C)C[C@@H](C(=O)NN(C[C@@H]1CCNC1=O)C(=O)S(C)=O)n1c(C(N)=O)cc2ccccc21.
What is the InChIKey of 1-[(2S)-4-methyl-1-[2-methylsulfinylcarbonyl-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-1-oxopentan-2-yl]indole-2-carboxamide?
The InChIKey is ZELYXQXQUIQEHV-IKJBJCPUSA-N. The full InChI is InChI=1S/C22H29N5O5S/c1-13(2)10-18(27-16-7-5-4-6-14(16)11-17(27)19(23)28)21(30)25-26(22(31)33(3)32)12-15-8-9-24-20(15)29/h4-7,11,13,15,18H,8-10,12H2,1-3H3,(H2,23,28)(H,24,29)(H,25,30)/t15-,18-,33?/m0/s1.
What are the key properties of 1-[(2S)-4-methyl-1-[2-methylsulfinylcarbonyl-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-1-oxopentan-2-yl]indole-2-carboxamide?
1-[(2S)-4-methyl-1-[2-methylsulfinylcarbonyl-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-1-oxopentan-2-yl]indole-2-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-methyl-1-[2-methylsulfinylcarbonyl-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-1-oxopentan-2-yl]indole-2-carboxamide is sourced from PubChem (CID 165384477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).