3-[(3-acetylphenyl)sulfonylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide

C18H22N2O4S2 — CID 78794216

IUPAC3-[(3-acetylphenyl)sulfonylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)N(C)Cc2sccc2C)c1
InChIInChI=1S/C18H22N2O4S2/c1-13-8-10-25-17(13)12-20(3)18(22)7-9-19-26(23,24)16-6-4-5-15(11-16)14(2)21/h4-6,8,10-11,19H,7,9,12H2,1-3H3
InChIKeyKVZIMBOLWZHSQV-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.59
Rot. Bonds8

About 3-[(3-acetylphenyl)sulfonylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide

3-[(3-acetylphenyl)sulfonylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide (PubChem CID 78794216) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-[(3-acetylphenyl)sulfonylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(3-acetylphenyl)sulfonylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
PubChem CID78794216
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC Name3-[(3-acetylphenyl)sulfonylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)N(C)Cc2sccc2C)c1
InChIInChI=1S/C18H22N2O4S2/c1-13-8-10-25-17(13)12-20(3)18(22)7-9-19-26(23,24)16-6-4-5-15(11-16)14(2)21/h4-6,8,10-11,19H,7,9,12H2,1-3H3
InChIKeyKVZIMBOLWZHSQV-UHFFFAOYSA-N
XLogP2.59
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 9020414
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982
3-acetyl-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 48629818
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553
3-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 110787294
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 9368930
3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
CID 43591526
3-acetyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzenesulfonamide
CID 8814206
4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
CID 79200842

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide (CID 78794216) is 3-[(3-acetylphenyl)sulfonylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-[(3-acetylphenyl)sulfonylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3-[(3-acetylphenyl)sulfonylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide is CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N(C)Cc2sccc2C)c1.
What is the InChIKey of 3-[(3-acetylphenyl)sulfonylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The InChIKey is KVZIMBOLWZHSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-13-8-10-25-17(13)12-20(3)18(22)7-9-19-26(23,24)16-6-4-5-15(11-16)14(2)21/h4-6,8,10-11,19H,7,9,12H2,1-3H3.
What are the key properties of 3-[(3-acetylphenyl)sulfonylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
3-[(3-acetylphenyl)sulfonylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide has a molecular weight of 394.52 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetylphenyl)sulfonylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 78794216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).