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

C19H25BrN2O4S — CID 4146613

IUPAC3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)-N-hexylpropanamide
SMILESCCCCCCNC(=O)CC(NS(=O)(=O)c1ccc(Br)cc1)c1ccco1
InChIInChI=1S/C19H25BrN2O4S/c1-2-3-4-5-12-21-19(23)14-17(18-7-6-13-26-18)22-27(24,25)16-10-8-15(20)9-11-16/h6-11,13,17,22H,2-5,12,14H2,1H3,(H,21,23)
InChIKeyVZGLDMSSKOWQNF-UHFFFAOYSA-N
MW457.39 g/mol
LogP4.15
Rot. Bonds11

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

3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)-N-hexylpropanamide (PubChem CID 4146613) has the molecular formula C19H25BrN2O4S and a molecular weight of 457.39 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)-N-hexylpropanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)-N-hexylpropanamide
PubChem CID4146613
Molecular FormulaC19H25BrN2O4S
Molecular Weight457.39 g/mol
Exact Mass456.07
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)-N-hexylpropanamide
SMILESCCCCCCNC(=O)CC(NS(=O)(=O)c1ccc(Br)cc1)c1ccco1
InChIInChI=1S/C19H25BrN2O4S/c1-2-3-4-5-12-21-19(23)14-17(18-7-6-13-26-18)22-27(24,25)16-10-8-15(20)9-11-16/h6-11,13,17,22H,2-5,12,14H2,1H3,(H,21,23)
InChIKeyVZGLDMSSKOWQNF-UHFFFAOYSA-N
XLogP4.15
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.39
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(furan-2-yl)-N-heptyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 98230566
3-[(4-bromophenyl)sulfonylamino]-N-butan-2-yl-3-(furan-2-yl)propanamide
CID 4157844
3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)propanoate
CID 3651126
3-[(4-bromophenyl)sulfonylamino]-N-butyl-3-thiophen-2-ylpropanamide
CID 4146621
2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide
CID 112995289
3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(3-methylbutyl)propanamide
CID 4570118
(3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
CID 92698413
N-(2,2-dimethoxyethyl)-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3467487
N-butyl-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 4157955
(3S)-N-heptyl-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 98363690
3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-octylpropanamide
CID 46371459
N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 5233239

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)-N-hexylpropanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)-N-hexylpropanamide (CID 4146613) is 3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)-N-hexylpropanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)-N-hexylpropanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)-N-hexylpropanamide is CCCCCCNC(=O)CC(NS(=O)(=O)c1ccc(Br)cc1)c1ccco1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)-N-hexylpropanamide?
The InChIKey is VZGLDMSSKOWQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN2O4S/c1-2-3-4-5-12-21-19(23)14-17(18-7-6-13-26-18)22-27(24,25)16-10-8-15(20)9-11-16/h6-11,13,17,22H,2-5,12,14H2,1H3,(H,21,23).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)-N-hexylpropanamide?
3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)-N-hexylpropanamide has a molecular weight of 457.39 g/mol, XLogP of 4.15, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)-N-hexylpropanamide is sourced from PubChem (CID 4146613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).