N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide

C20H26N2O3S — CID 2954412

IUPACN-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCCCCc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-4-5-6-17-9-11-18(12-10-17)21-20(23)16(3)22-26(24,25)19-13-7-15(2)8-14-19/h7-14,16,22H,4-6H2,1-3H3,(H,21,23)
InChIKeyWHBKICZRYQLYSL-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.64
Rot. Bonds8

About N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide

N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 2954412) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID2954412
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCCCCc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-4-5-6-17-9-11-18(12-10-17)21-20(23)16(3)22-26(24,25)19-13-7-15(2)8-14-19/h7-14,16,22H,4-6H2,1-3H3,(H,21,23)
InChIKeyWHBKICZRYQLYSL-UHFFFAOYSA-N
XLogP3.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-butylphenyl)-2-(methylamino)propanamide
CID 94434276
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 3515825
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
(2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 7230015
(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40534613
N-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499174
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 3580359
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide (CID 2954412) is N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide is CCCCc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is WHBKICZRYQLYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-4-5-6-17-9-11-18(12-10-17)21-20(23)16(3)22-26(24,25)19-13-7-15(2)8-14-19/h7-14,16,22H,4-6H2,1-3H3,(H,21,23).
What are the key properties of N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 374.51 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 2954412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).