N-[3-(benzenesulfonyl)propyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide

C21H24N2O4S — CID 60593361

IUPACN-[3-(benzenesulfonyl)propyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1ccc(C(=O)NCCCS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O4S/c1-15-14-19(15)21(25)23-17-10-8-16(9-11-17)20(24)22-12-5-13-28(26,27)18-6-3-2-4-7-18/h2-4,6-11,15,19H,5,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyVCZHOFOVQRYNPI-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.87
Rot. Bonds8

About N-[3-(benzenesulfonyl)propyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-[3-(benzenesulfonyl)propyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 60593361) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[3-(benzenesulfonyl)propyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonyl)propyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID60593361
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[3-(benzenesulfonyl)propyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1ccc(C(=O)NCCCS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O4S/c1-15-14-19(15)21(25)23-17-10-8-16(9-11-17)20(24)22-12-5-13-28(26,27)18-6-3-2-4-7-18/h2-4,6-11,15,19H,5,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyVCZHOFOVQRYNPI-UHFFFAOYSA-N
XLogP2.87
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.87
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

N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46437430
N-[2-(benzenesulfonyl)ethyl]-4-(phenylcarbamoylamino)benzamide
CID 55734276
N-(2-methoxyethyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430343
N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 119432738
N-benzyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide
CID 55651793
N-[2-(benzenesulfonylmethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 56783782
cis-(1S,3R)-3-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120675005
2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119136419
(2S,3S)-3-methyl-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]pentanoic acid
CID 119194021
N-octyl-4-[[(1R,2R)-2-octylcyclopropanecarbonyl]amino]benzamide
CID 98044630
4-[(2-methylcyclopropanecarbonyl)amino]-N-(4-methyl-4-phenylpentan-2-yl)benzamide
CID 60591962
N-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 124777410

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonyl)propyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-[3-(benzenesulfonyl)propyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 60593361) is N-[3-(benzenesulfonyl)propyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-[3-(benzenesulfonyl)propyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-[3-(benzenesulfonyl)propyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide is CC1CC1C(=O)Nc1ccc(C(=O)NCCCS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[3-(benzenesulfonyl)propyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is VCZHOFOVQRYNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-15-14-19(15)21(25)23-17-10-8-16(9-11-17)20(24)22-12-5-13-28(26,27)18-6-3-2-4-7-18/h2-4,6-11,15,19H,5,12-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-(benzenesulfonyl)propyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-[3-(benzenesulfonyl)propyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 400.50 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonyl)propyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 60593361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).