5-[(4-butylphenyl)sulfamoyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide

C23H31N3O4S — CID 40795564

IUPAC5-[(4-butylphenyl)sulfamoyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)C(=O)NCC)c2)cc1
InChIInChI=1S/C23H31N3O4S/c1-5-7-8-18-10-12-19(13-11-18)26-31(29,30)20-14-9-16(3)21(15-20)23(28)25-17(4)22(27)24-6-2/h9-15,17,26H,5-8H2,1-4H3,(H,24,27)(H,25,28)/t17-/m0/s1
InChIKeyLIDZSQHLYUWUNT-KRWDZBQOSA-N
MW445.59 g/mol
LogP3.39
Rot. Bonds10

About 5-[(4-butylphenyl)sulfamoyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide

5-[(4-butylphenyl)sulfamoyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide (PubChem CID 40795564) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 5-[(4-butylphenyl)sulfamoyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[(4-butylphenyl)sulfamoyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
PubChem CID40795564
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name5-[(4-butylphenyl)sulfamoyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)C(=O)NCC)c2)cc1
InChIInChI=1S/C23H31N3O4S/c1-5-7-8-18-10-12-19(13-11-18)26-31(29,30)20-14-9-16(3)21(15-20)23(28)25-17(4)22(27)24-6-2/h9-15,17,26H,5-8H2,1-4H3,(H,24,27)(H,25,28)/t17-/m0/s1
InChIKeyLIDZSQHLYUWUNT-KRWDZBQOSA-N
XLogP3.39
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-butylphenyl)sulfamoyl]-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 97185318
N-[3-(butan-2-ylamino)-3-oxopropyl]-5-[(4-butylphenyl)sulfamoyl]-2-methylbenzamide
CID 55948548
5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoate
CID 7040597
5-[(4-butylphenyl)sulfamoyl]-2-methyl-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 124737641
4-[[5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoyl]amino]-1-methylpyrrole-2-carboxamide
CID 25331651
5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 2133735
5-(dimethylsulfamoyl)-2-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 41198961
5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide
CID 78785926
N-(4-butylphenyl)-4-methyl-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 53258539
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 42908748
N-butan-2-yl-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 51160733
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butylphenyl)sulfamoyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide?
The IUPAC name of 5-[(4-butylphenyl)sulfamoyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide (CID 40795564) is 5-[(4-butylphenyl)sulfamoyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide.
What is the SMILES notation for 5-[(4-butylphenyl)sulfamoyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide?
The canonical SMILES for 5-[(4-butylphenyl)sulfamoyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide is CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)C(=O)NCC)c2)cc1.
What is the InChIKey of 5-[(4-butylphenyl)sulfamoyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide?
The InChIKey is LIDZSQHLYUWUNT-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-5-7-8-18-10-12-19(13-11-18)26-31(29,30)20-14-9-16(3)21(15-20)23(28)25-17(4)22(27)24-6-2/h9-15,17,26H,5-8H2,1-4H3,(H,24,27)(H,25,28)/t17-/m0/s1.
What are the key properties of 5-[(4-butylphenyl)sulfamoyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide?
5-[(4-butylphenyl)sulfamoyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide has a molecular weight of 445.59 g/mol, XLogP of 3.39, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-butylphenyl)sulfamoyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 40795564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).