N-[3-(butan-2-ylamino)-3-oxopropyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide

C17H24FN3O4S — CID 55992642

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)NCCC(=O)NC(C)CC)ccc1F
InChIInChI=1S/C17H24FN3O4S/c1-4-9-20-26(24,25)15-11-13(6-7-14(15)18)17(23)19-10-8-16(22)21-12(3)5-2/h4,6-7,11-12,20H,1,5,8-10H2,2-3H3,(H,19,23)(H,21,22)
InChIKeyQHHUGWQZFKRWFO-UHFFFAOYSA-N
MW385.46 g/mol
LogP1.32
Rot. Bonds10

About N-[3-(butan-2-ylamino)-3-oxopropyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 55992642) has the molecular formula C17H24FN3O4S and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID55992642
Molecular FormulaC17H24FN3O4S
Molecular Weight385.46 g/mol
Exact Mass385.15
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)NCCC(=O)NC(C)CC)ccc1F
InChIInChI=1S/C17H24FN3O4S/c1-4-9-20-26(24,25)15-11-13(6-7-14(15)18)17(23)19-10-8-16(22)21-12(3)5-2/h4,6-7,11-12,20H,1,5,8-10H2,2-3H3,(H,19,23)(H,21,22)
InChIKeyQHHUGWQZFKRWFO-UHFFFAOYSA-N
XLogP1.32
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47162107
2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 55581588
4-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(prop-2-enylsulfamoyl)benzamide
CID 55796321
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 55948031
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55948926
4-(butan-2-ylamino)-3-(prop-2-enylsulfamoyl)benzoic acid
CID 132650504
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 52510027
N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide
CID 94816425
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide
CID 104627763
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide
CID 94816424
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191435
N-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide
CID 55596596

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide (CID 55992642) is N-[3-(butan-2-ylamino)-3-oxopropyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cc(C(=O)NCCC(=O)NC(C)CC)ccc1F.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is QHHUGWQZFKRWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O4S/c1-4-9-20-26(24,25)15-11-13(6-7-14(15)18)17(23)19-10-8-16(22)21-12(3)5-2/h4,6-7,11-12,20H,1,5,8-10H2,2-3H3,(H,19,23)(H,21,22).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 385.46 g/mol, XLogP of 1.32, 10 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]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 55992642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).