(2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide

C15H23N3O3S — CID 41023511

IUPAC(2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCCCCC1
InChIInChI=1S/C15H23N3O3S/c1-12(18-9-4-2-3-5-10-18)15(19)17-13-7-6-8-14(11-13)22(16,20)21/h6-8,11-12H,2-5,9-10H2,1H3,(H,17,19)(H2,16,20,21)/t12-/m1/s1
InChIKeyXNQQJDBXIAODHR-GFCCVEGCSA-N
MW325.43 g/mol
LogP1.54
Rot. Bonds4

About (2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide

(2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide (PubChem CID 41023511) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is (2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide
PubChem CID41023511
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name(2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCCCCC1
InChIInChI=1S/C15H23N3O3S/c1-12(18-9-4-2-3-5-10-18)15(19)17-13-7-6-8-14(11-13)22(16,20)21/h6-8,11-12H,2-5,9-10H2,1H3,(H,17,19)(H2,16,20,21)/t12-/m1/s1
InChIKeyXNQQJDBXIAODHR-GFCCVEGCSA-N
XLogP1.54
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 9250166
2-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride
CID 119918280
N-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 16597974
2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 46630888
(2S)-2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 9249876
(2R)-N-(3-acetylphenyl)-2-piperidin-1-ylpropanamide
CID 8894791
2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 24506732
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 45351379
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
N-(3-sulfamoylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propanamide
CID 24507172
N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 95352627

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of (2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide (CID 41023511) is (2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for (2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide is C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCCCCC1.
What is the InChIKey of (2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is XNQQJDBXIAODHR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-12(18-9-4-2-3-5-10-18)15(19)17-13-7-6-8-14(11-13)22(16,20)21/h6-8,11-12H,2-5,9-10H2,1H3,(H,17,19)(H2,16,20,21)/t12-/m1/s1.
What are the key properties of (2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide?
(2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 325.43 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 41023511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).