N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide

C19H29N3O3S — CID 30942685

IUPACN-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide
SMILESO=C(NCCCN1CCCCCC1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C19H29N3O3S/c23-19(20-12-5-15-22-13-3-1-2-4-14-22)16-6-10-18(11-7-16)26(24,25)21-17-8-9-17/h6-7,10-11,17,21H,1-5,8-9,12-15H2,(H,20,23)
InChIKeySIPZUMVVRDQQPS-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.12
Rot. Bonds8

About N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide

N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide (PubChem CID 30942685) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide
PubChem CID30942685
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide
SMILESO=C(NCCCN1CCCCCC1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C19H29N3O3S/c23-19(20-12-5-15-22-13-3-1-2-4-14-22)16-6-10-18(11-7-16)26(24,25)21-17-8-9-17/h6-7,10-11,17,21H,1-5,8-9,12-15H2,(H,20,23)
InChIKeySIPZUMVVRDQQPS-UHFFFAOYSA-N
XLogP2.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopropylsulfamoyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 18150983
4-(cyclopropylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 119447342
N-[3-(azepan-1-yl)propyl]-4-(tert-butylsulfamoyl)benzamide
CID 30942643
4-(cyclohexylsulfamoyl)-N-pentylbenzamide
CID 109059553
4-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide
CID 55723380
4-(cyclopentylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 109059323
1-[3-(azepan-1-yl)propyl]-3-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-methylguanidine
CID 111325414
N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508335
4-(cycloheptylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 109061209
N-(2-piperidin-1-ylethyl)-4-sulfamoylbenzamide
CID 68595243
4-cyano-N-(3-piperidin-1-ylpropyl)benzamide
CID 11608750
4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28566921

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide (CID 30942685) is N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide is O=C(NCCCN1CCCCCC1)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide?
The InChIKey is SIPZUMVVRDQQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c23-19(20-12-5-15-22-13-3-1-2-4-14-22)16-6-10-18(11-7-16)26(24,25)21-17-8-9-17/h6-7,10-11,17,21H,1-5,8-9,12-15H2,(H,20,23).
What are the key properties of N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide?
N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide has a molecular weight of 379.53 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 30942685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).