(2R)-2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-methylpropanamide

C17H27N3O4S — CID 41157023

IUPAC(2R)-2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC
InChIInChI=1S/C17H27N3O4S/c1-13(17(21)18-2)19-15-12-14(8-9-16(15)24-3)25(22,23)20-10-6-4-5-7-11-20/h8-9,12-13,19H,4-7,10-11H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyOMQZCJZKVIVLPD-CYBMUJFWSA-N
MW369.49 g/mol
LogP1.81
Rot. Bonds6

About (2R)-2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-methylpropanamide

(2R)-2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-methylpropanamide (PubChem CID 41157023) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is (2R)-2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-methylpropanamide
PubChem CID41157023
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name(2R)-2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC
InChIInChI=1S/C17H27N3O4S/c1-13(17(21)18-2)19-15-12-14(8-9-16(15)24-3)25(22,23)20-10-6-4-5-7-11-20/h8-9,12-13,19H,4-7,10-11H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyOMQZCJZKVIVLPD-CYBMUJFWSA-N
XLogP1.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(1,3-benzodioxol-5-yl)propanamide
CID 4840016
2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(3-cyanothiophen-2-yl)propanamide
CID 45353966
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 26065836
2-ethyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 110290796
1-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-propan-2-ylthiourea
CID 8660097
1-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-propan-2-ylthiourea
CID 8659079
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 94020015
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
CID 8894862
4-acetyl-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]benzenesulfonamide
CID 4968859

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-methylpropanamide (CID 41157023) is (2R)-2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-methylpropanamide is CNC(=O)[C@@H](C)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC.
What is the InChIKey of (2R)-2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-methylpropanamide?
The InChIKey is OMQZCJZKVIVLPD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-13(17(21)18-2)19-15-12-14(8-9-16(15)24-3)25(22,23)20-10-6-4-5-7-11-20/h8-9,12-13,19H,4-7,10-11H2,1-3H3,(H,18,21)/t13-/m1/s1.
What are the key properties of (2R)-2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-methylpropanamide?
(2R)-2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-methylpropanamide has a molecular weight of 369.49 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-methylpropanamide is sourced from PubChem (CID 41157023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).