(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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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).