3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(3-methylbutyl)propanamide

C19H26N2O5S — CID 4570118

IUPAC3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(3-methylbutyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NC(CC(=O)NCCC(C)C)c2ccco2)cc1
InChIInChI=1S/C19H26N2O5S/c1-14(2)10-11-20-19(22)13-17(18-5-4-12-26-18)21-27(23,24)16-8-6-15(25-3)7-9-16/h4-9,12,14,17,21H,10-11,13H2,1-3H3,(H,20,22)
InChIKeySTLCFANCANFRMG-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.86
Rot. Bonds10

About 3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(3-methylbutyl)propanamide

3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(3-methylbutyl)propanamide (PubChem CID 4570118) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(3-methylbutyl)propanamide
PubChem CID4570118
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(3-methylbutyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NC(CC(=O)NCCC(C)C)c2ccco2)cc1
InChIInChI=1S/C19H26N2O5S/c1-14(2)10-11-20-19(22)13-17(18-5-4-12-26-18)21-27(23,24)16-8-6-15(25-3)7-9-16/h4-9,12,14,17,21H,10-11,13H2,1-3H3,(H,20,22)
InChIKeySTLCFANCANFRMG-UHFFFAOYSA-N
XLogP2.86
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 5233233
(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
3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 3618581
(3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
CID 92698413
3-[(4-bromophenyl)sulfonylamino]-N-butan-2-yl-3-(furan-2-yl)propanamide
CID 4157844
N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 5233239
(2R)-N-[(1R)-1-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
CID 39965551
1-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]amino]-3-(3-methylbutyl)thiourea
CID 9149900
N-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide
CID 95740998

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(3-methylbutyl)propanamide (CID 4570118) is 3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(3-methylbutyl)propanamide is COc1ccc(S(=O)(=O)NC(CC(=O)NCCC(C)C)c2ccco2)cc1.
What is the InChIKey of 3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(3-methylbutyl)propanamide?
The InChIKey is STLCFANCANFRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-14(2)10-11-20-19(22)13-17(18-5-4-12-26-18)21-27(23,24)16-8-6-15(25-3)7-9-16/h4-9,12,14,17,21H,10-11,13H2,1-3H3,(H,20,22).
What are the key properties of 3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(3-methylbutyl)propanamide?
3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(3-methylbutyl)propanamide has a molecular weight of 394.49 g/mol, XLogP of 2.86, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 4570118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).