(2S)-1-[(5-methyl-1H-indol-7-yl)sulfonyl]-N-[(3R)-oxan-3-yl]azetidine-2-carboxamide

C18H23N3O4S — CID 175761622

IUPAC(2S)-1-[(5-methyl-1H-indol-7-yl)sulfonyl]-N-[(3R)-oxan-3-yl]azetidine-2-carboxamide
SMILESCc1cc(S(=O)(=O)N2CC[C@H]2C(=O)N[C@@H]2CCCOC2)c2[nH]ccc2c1
InChIInChI=1S/C18H23N3O4S/c1-12-9-13-4-6-19-17(13)16(10-12)26(23,24)21-7-5-15(21)18(22)20-14-3-2-8-25-11-14/h4,6,9-10,14-15,19H,2-3,5,7-8,11H2,1H3,(H,20,22)/t14-,15+/m1/s1
InChIKeyQUBQQBPSUBPCHP-CABCVRRESA-N
MW377.47 g/mol
LogP1.53
Rot. Bonds4

About (2S)-1-[(5-methyl-1H-indol-7-yl)sulfonyl]-N-[(3R)-oxan-3-yl]azetidine-2-carboxamide

(2S)-1-[(5-methyl-1H-indol-7-yl)sulfonyl]-N-[(3R)-oxan-3-yl]azetidine-2-carboxamide (PubChem CID 175761622) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is (2S)-1-[(5-methyl-1H-indol-7-yl)sulfonyl]-N-[(3R)-oxan-3-yl]azetidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(5-methyl-1H-indol-7-yl)sulfonyl]-N-[(3R)-oxan-3-yl]azetidine-2-carboxamide
PubChem CID175761622
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name(2S)-1-[(5-methyl-1H-indol-7-yl)sulfonyl]-N-[(3R)-oxan-3-yl]azetidine-2-carboxamide
SMILESCc1cc(S(=O)(=O)N2CC[C@H]2C(=O)N[C@@H]2CCCOC2)c2[nH]ccc2c1
InChIInChI=1S/C18H23N3O4S/c1-12-9-13-4-6-19-17(13)16(10-12)26(23,24)21-7-5-15(21)18(22)20-14-3-2-8-25-11-14/h4,6,9-10,14-15,19H,2-3,5,7-8,11H2,1H3,(H,20,22)/t14-,15+/m1/s1
InChIKeyQUBQQBPSUBPCHP-CABCVRRESA-N
XLogP1.53
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-methyl-1H-indole-7-carboxamide
CID 137382767
(2S)-N-but-2-ynyl-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]azetidine-2-carboxamide
CID 171442835
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(oxan-3-yl)-4-oxobutanamide
CID 56559474
1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-quinolin-7-ylazetidine-2-carboxamide
CID 171395425
1-[(2-cyano-5-methyl-1H-indol-7-yl)sulfonyl]-N-[4-(oxetan-3-yl)-2,3-dihydro-1,4-benzoxazin-7-yl]azetidine-2-carboxamide
CID 174227244
(2S)-N-isoquinolin-7-yl-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]azetidine-2-carboxamide
CID 171442846
N-cyclopropyl-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 42955237
(2S)-N-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 110285844
N-(3-chloro-4-cyanophenyl)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]azetidine-2-carboxamide
CID 171395599
4-[4-(oxan-3-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoic acid
CID 119184270
2-methyl-5-(oxan-3-ylcarbamoyl)furan-3-sulfonyl chloride
CID 65397430
(2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide
CID 171442826

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-methyl-1H-indol-7-yl)sulfonyl]-N-[(3R)-oxan-3-yl]azetidine-2-carboxamide?
The IUPAC name of (2S)-1-[(5-methyl-1H-indol-7-yl)sulfonyl]-N-[(3R)-oxan-3-yl]azetidine-2-carboxamide (CID 175761622) is (2S)-1-[(5-methyl-1H-indol-7-yl)sulfonyl]-N-[(3R)-oxan-3-yl]azetidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(5-methyl-1H-indol-7-yl)sulfonyl]-N-[(3R)-oxan-3-yl]azetidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(5-methyl-1H-indol-7-yl)sulfonyl]-N-[(3R)-oxan-3-yl]azetidine-2-carboxamide is Cc1cc(S(=O)(=O)N2CC[C@H]2C(=O)N[C@@H]2CCCOC2)c2[nH]ccc2c1.
What is the InChIKey of (2S)-1-[(5-methyl-1H-indol-7-yl)sulfonyl]-N-[(3R)-oxan-3-yl]azetidine-2-carboxamide?
The InChIKey is QUBQQBPSUBPCHP-CABCVRRESA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-12-9-13-4-6-19-17(13)16(10-12)26(23,24)21-7-5-15(21)18(22)20-14-3-2-8-25-11-14/h4,6,9-10,14-15,19H,2-3,5,7-8,11H2,1H3,(H,20,22)/t14-,15+/m1/s1.
What are the key properties of (2S)-1-[(5-methyl-1H-indol-7-yl)sulfonyl]-N-[(3R)-oxan-3-yl]azetidine-2-carboxamide?
(2S)-1-[(5-methyl-1H-indol-7-yl)sulfonyl]-N-[(3R)-oxan-3-yl]azetidine-2-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-methyl-1H-indol-7-yl)sulfonyl]-N-[(3R)-oxan-3-yl]azetidine-2-carboxamide is sourced from PubChem (CID 175761622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).