2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide

C20H22ClN3O3S — CID 135680055

IUPAC2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)NNC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O3S/c1-13(2)22-19(26)20(27)24-23-17(25)12-28-18(14-6-4-3-5-7-14)15-8-10-16(21)11-9-15/h3-11,13,18H,12H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)/t18-/m0/s1
InChIKeyGOFGWIPOAQRGJR-SFHVURJKSA-N
MW419.93 g/mol
LogP2.83
Rot. Bonds6

About 2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide

2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 135680055) has the molecular formula C20H22ClN3O3S and a molecular weight of 419.93 g/mol. Its IUPAC name is 2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
PubChem CID135680055
Molecular FormulaC20H22ClN3O3S
Molecular Weight419.93 g/mol
Exact Mass419.11
IUPAC Name2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)NNC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O3S/c1-13(2)22-19(26)20(27)24-23-17(25)12-28-18(14-6-4-3-5-7-14)15-8-10-16(21)11-9-15/h3-11,13,18H,12H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)/t18-/m0/s1
InChIKeyGOFGWIPOAQRGJR-SFHVURJKSA-N
XLogP2.83
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide
CID 4799568
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide
CID 78856326
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate
CID 7752645
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119500116
N-[3-[[2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]propyl]-2-methylpropanamide
CID 97077393
(2S)-2-[[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-ethylpropanamide
CID 8751991
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 51139553
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide
CID 112777252
N'-(2-benzhydrylsulfanylacetyl)-2-chlorobenzohydrazide
CID 9339375
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 47003851
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 47003849
2-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 55502195

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide (CID 135680055) is 2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)NNC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is GOFGWIPOAQRGJR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22ClN3O3S/c1-13(2)22-19(26)20(27)24-23-17(25)12-28-18(14-6-4-3-5-7-14)15-8-10-16(21)11-9-15/h3-11,13,18H,12H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)/t18-/m0/s1.
What are the key properties of 2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 419.93 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 135680055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).