N-[[4-(benzamidocarbamoyl)phenyl]methyl]butane-1-sulfonamide

C19H23N3O4S — CID 70166510

IUPACN-[[4-(benzamidocarbamoyl)phenyl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1ccc(C(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-2-3-13-27(25,26)20-14-15-9-11-17(12-10-15)19(24)22-21-18(23)16-7-5-4-6-8-16/h4-12,20H,2-3,13-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyDPNOVDPWKHCGGJ-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.98
Rot. Bonds8

About N-[[4-(benzamidocarbamoyl)phenyl]methyl]butane-1-sulfonamide

N-[[4-(benzamidocarbamoyl)phenyl]methyl]butane-1-sulfonamide (PubChem CID 70166510) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[[4-(benzamidocarbamoyl)phenyl]methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-(benzamidocarbamoyl)phenyl]methyl]butane-1-sulfonamide
PubChem CID70166510
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[[4-(benzamidocarbamoyl)phenyl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1ccc(C(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-2-3-13-27(25,26)20-14-15-9-11-17(12-10-15)19(24)22-21-18(23)16-7-5-4-6-8-16/h4-12,20H,2-3,13-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyDPNOVDPWKHCGGJ-UHFFFAOYSA-N
XLogP1.98
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 14025944
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4-butyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 4296967
N-[[4-[(heptylamino)carbamoyl]phenyl]methyl]benzamide
CID 139558708
N-[3-[(butylsulfonylamino)methyl]phenyl]pyridine-4-carboxamide
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N-(4-benzoylphenyl)butane-1-sulfonamide
CID 21486671
N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide
CID 55726600
N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 113098105
N-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide
CID 110781060
4-[(4-methylphenyl)methylsulfamoyl]butanoic acid
CID 28513518
methyl 4-[(3-chloropropylsulfonylamino)methyl]benzoate
CID 43654228

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzamidocarbamoyl)phenyl]methyl]butane-1-sulfonamide?
The IUPAC name of N-[[4-(benzamidocarbamoyl)phenyl]methyl]butane-1-sulfonamide (CID 70166510) is N-[[4-(benzamidocarbamoyl)phenyl]methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[[4-(benzamidocarbamoyl)phenyl]methyl]butane-1-sulfonamide?
The canonical SMILES for N-[[4-(benzamidocarbamoyl)phenyl]methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1ccc(C(=O)NNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[4-(benzamidocarbamoyl)phenyl]methyl]butane-1-sulfonamide?
The InChIKey is DPNOVDPWKHCGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-2-3-13-27(25,26)20-14-15-9-11-17(12-10-15)19(24)22-21-18(23)16-7-5-4-6-8-16/h4-12,20H,2-3,13-14H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[[4-(benzamidocarbamoyl)phenyl]methyl]butane-1-sulfonamide?
N-[[4-(benzamidocarbamoyl)phenyl]methyl]butane-1-sulfonamide has a molecular weight of 389.48 g/mol, XLogP of 1.98, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzamidocarbamoyl)phenyl]methyl]butane-1-sulfonamide is sourced from PubChem (CID 70166510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).