N-[3-(butan-2-ylamino)-3-oxopropyl]-5-[(4-butylphenyl)sulfamoyl]-2-methylbenzamide

C25H35N3O4S — CID 55948548

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-5-[(4-butylphenyl)sulfamoyl]-2-methylbenzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCC(=O)NC(C)CC)c2)cc1
InChIInChI=1S/C25H35N3O4S/c1-5-7-8-20-10-12-21(13-11-20)28-33(31,32)22-14-9-18(3)23(17-22)25(30)26-16-15-24(29)27-19(4)6-2/h9-14,17,19,28H,5-8,15-16H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyVSEKUTORCUABBR-UHFFFAOYSA-N
MW473.64 g/mol
LogP4.17
Rot. Bonds12

About N-[3-(butan-2-ylamino)-3-oxopropyl]-5-[(4-butylphenyl)sulfamoyl]-2-methylbenzamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-5-[(4-butylphenyl)sulfamoyl]-2-methylbenzamide (PubChem CID 55948548) has the molecular formula C25H35N3O4S and a molecular weight of 473.64 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-5-[(4-butylphenyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-5-[(4-butylphenyl)sulfamoyl]-2-methylbenzamide
PubChem CID55948548
Molecular FormulaC25H35N3O4S
Molecular Weight473.64 g/mol
Exact Mass473.23
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-5-[(4-butylphenyl)sulfamoyl]-2-methylbenzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCC(=O)NC(C)CC)c2)cc1
InChIInChI=1S/C25H35N3O4S/c1-5-7-8-20-10-12-21(13-11-20)28-33(31,32)22-14-9-18(3)23(17-22)25(30)26-16-15-24(29)27-19(4)6-2/h9-14,17,19,28H,5-8,15-16H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyVSEKUTORCUABBR-UHFFFAOYSA-N
XLogP4.17
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 54.17
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
5-[(4-butylphenyl)sulfamoyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 40795564
5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoate
CID 7040597
5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 55948933
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55947275
5-[(4-butylphenyl)sulfamoyl]-2-methyl-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 124737641
N-butan-2-yl-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 51160733
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55947271
5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 2133735
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300111
4-[[5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoyl]amino]-1-methylpyrrole-2-carboxamide
CID 25331651
N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide
CID 42940283

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-5-[(4-butylphenyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-5-[(4-butylphenyl)sulfamoyl]-2-methylbenzamide (CID 55948548) is N-[3-(butan-2-ylamino)-3-oxopropyl]-5-[(4-butylphenyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-5-[(4-butylphenyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-5-[(4-butylphenyl)sulfamoyl]-2-methylbenzamide is CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCC(=O)NC(C)CC)c2)cc1.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-5-[(4-butylphenyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is VSEKUTORCUABBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4S/c1-5-7-8-20-10-12-21(13-11-20)28-33(31,32)22-14-9-18(3)23(17-22)25(30)26-16-15-24(29)27-19(4)6-2/h9-14,17,19,28H,5-8,15-16H2,1-4H3,(H,26,30)(H,27,29).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-5-[(4-butylphenyl)sulfamoyl]-2-methylbenzamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-5-[(4-butylphenyl)sulfamoyl]-2-methylbenzamide has a molecular weight of 473.64 g/mol, XLogP of 4.17, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-5-[(4-butylphenyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 55948548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).