3-[(4-bromophenyl)sulfonylamino]-N-butan-2-yl-3-(furan-2-yl)propanamide

C17H21BrN2O4S — CID 4157844

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-butan-2-yl-3-(furan-2-yl)propanamide
SMILESCCC(C)NC(=O)CC(NS(=O)(=O)c1ccc(Br)cc1)c1ccco1
InChIInChI=1S/C17H21BrN2O4S/c1-3-12(2)19-17(21)11-15(16-5-4-10-24-16)20-25(22,23)14-8-6-13(18)7-9-14/h4-10,12,15,20H,3,11H2,1-2H3,(H,19,21)
InChIKeyMUQKIDQGBLJROC-UHFFFAOYSA-N
MW429.34 g/mol
LogP3.37
Rot. Bonds8

About 3-[(4-bromophenyl)sulfonylamino]-N-butan-2-yl-3-(furan-2-yl)propanamide

3-[(4-bromophenyl)sulfonylamino]-N-butan-2-yl-3-(furan-2-yl)propanamide (PubChem CID 4157844) has the molecular formula C17H21BrN2O4S and a molecular weight of 429.34 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-butan-2-yl-3-(furan-2-yl)propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-butan-2-yl-3-(furan-2-yl)propanamide
PubChem CID4157844
Molecular FormulaC17H21BrN2O4S
Molecular Weight429.34 g/mol
Exact Mass428.04
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-butan-2-yl-3-(furan-2-yl)propanamide
SMILESCCC(C)NC(=O)CC(NS(=O)(=O)c1ccc(Br)cc1)c1ccco1
InChIInChI=1S/C17H21BrN2O4S/c1-3-12(2)19-17(21)11-15(16-5-4-10-24-16)20-25(22,23)14-8-6-13(18)7-9-14/h4-10,12,15,20H,3,11H2,1-2H3,(H,19,21)
InChIKeyMUQKIDQGBLJROC-UHFFFAOYSA-N
XLogP3.37
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.34
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)propanoate
CID 3651126
3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)-N-hexylpropanamide
CID 4146613
(3R)-3-(furan-2-yl)-N-heptyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 98230566
3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(3-methylbutyl)propanamide
CID 4570118
N-(2,2-dimethoxyethyl)-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3467487
4-bromo-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxy-5-methylhexan-2-yl]benzenesulfonamide
CID 68543624
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 1093339
(3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
CID 92698413
N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 15174185
N-butyl-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 4157955
N-benzyl-3-(furan-2-yl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4165649
(2S,3R)-2-[(4-bromophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6362488

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-butan-2-yl-3-(furan-2-yl)propanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-butan-2-yl-3-(furan-2-yl)propanamide (CID 4157844) is 3-[(4-bromophenyl)sulfonylamino]-N-butan-2-yl-3-(furan-2-yl)propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-butan-2-yl-3-(furan-2-yl)propanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-butan-2-yl-3-(furan-2-yl)propanamide is CCC(C)NC(=O)CC(NS(=O)(=O)c1ccc(Br)cc1)c1ccco1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-butan-2-yl-3-(furan-2-yl)propanamide?
The InChIKey is MUQKIDQGBLJROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O4S/c1-3-12(2)19-17(21)11-15(16-5-4-10-24-16)20-25(22,23)14-8-6-13(18)7-9-14/h4-10,12,15,20H,3,11H2,1-2H3,(H,19,21).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-butan-2-yl-3-(furan-2-yl)propanamide?
3-[(4-bromophenyl)sulfonylamino]-N-butan-2-yl-3-(furan-2-yl)propanamide has a molecular weight of 429.34 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-butan-2-yl-3-(furan-2-yl)propanamide is sourced from PubChem (CID 4157844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).