N-butyl-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide

C19H26N2O5S — CID 4157955

IUPACN-butyl-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
SMILESCCCCN(C)C(=O)CC(NS(=O)(=O)c1ccc(OC)cc1)c1ccco1
InChIInChI=1S/C19H26N2O5S/c1-4-5-12-21(2)19(22)14-17(18-7-6-13-26-18)20-27(23,24)16-10-8-15(25-3)9-11-16/h6-11,13,17,20H,4-5,12,14H2,1-3H3
InChIKeyYKMCGZURONZETI-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.96
Rot. Bonds10

About N-butyl-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide

N-butyl-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 4157955) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is N-butyl-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-butyl-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
PubChem CID4157955
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC NameN-butyl-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
SMILESCCCCN(C)C(=O)CC(NS(=O)(=O)c1ccc(OC)cc1)c1ccco1
InChIInChI=1S/C19H26N2O5S/c1-4-5-12-21(2)19(22)14-17(18-7-6-13-26-18)20-27(23,24)16-10-8-15(25-3)9-11-16/h6-11,13,17,20H,4-5,12,14H2,1-3H3
InChIKeyYKMCGZURONZETI-UHFFFAOYSA-N
XLogP2.96
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 5124030
N-(2,2-dimethoxyethyl)-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3467487
3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(3-methylbutyl)propanamide
CID 4570118
N-benzyl-3-(furan-2-yl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4165649
(3R)-3-(furan-2-yl)-N-heptyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 98230566
3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)-N-hexylpropanamide
CID 4146613
(2R)-N-[(1R)-1-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
CID 39965551
N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide
CID 110675714
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
N-butyl-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112995445
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxybenzenesulfonamide
CID 121145607

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of N-butyl-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide (CID 4157955) is N-butyl-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for N-butyl-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for N-butyl-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide is CCCCN(C)C(=O)CC(NS(=O)(=O)c1ccc(OC)cc1)c1ccco1.
What is the InChIKey of N-butyl-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is YKMCGZURONZETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-4-5-12-21(2)19(22)14-17(18-7-6-13-26-18)20-27(23,24)16-10-8-15(25-3)9-11-16/h6-11,13,17,20H,4-5,12,14H2,1-3H3.
What are the key properties of N-butyl-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide?
N-butyl-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 394.49 g/mol, XLogP of 2.96, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 4157955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).