3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-ethylthiophen-2-yl)methyl]propanamide

C18H24N2O3S2 — CID 46475956

IUPAC3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-ethylthiophen-2-yl)methyl]propanamide
SMILESCCc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)s1
InChIInChI=1S/C18H24N2O3S2/c1-4-15-6-7-16(24-15)12-19-18(21)9-10-20-25(22,23)17-8-5-13(2)14(3)11-17/h5-8,11,20H,4,9-10,12H2,1-3H3,(H,19,21)
InChIKeyYZCWUJMXAJQBIK-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.91
Rot. Bonds8

About 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-ethylthiophen-2-yl)methyl]propanamide

3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-ethylthiophen-2-yl)methyl]propanamide (PubChem CID 46475956) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-ethylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-ethylthiophen-2-yl)methyl]propanamide
PubChem CID46475956
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-ethylthiophen-2-yl)methyl]propanamide
SMILESCCc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)s1
InChIInChI=1S/C18H24N2O3S2/c1-4-15-6-7-16(24-15)12-19-18(21)9-10-20-25(22,23)17-8-5-13(2)14(3)11-17/h5-8,11,20H,4,9-10,12H2,1-3H3,(H,19,21)
InChIKeyYZCWUJMXAJQBIK-UHFFFAOYSA-N
XLogP2.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide
CID 32736543
2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171670
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 51159054
N-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide
CID 55848949
N-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2385556
3-[(3,4-difluorophenyl)sulfonylamino]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 86866305
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-(1-adamantyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 4009443
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9412008
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 55846957
ethyl 4-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 24981712
N-[(2-chlorophenyl)methyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide
CID 9165246

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-ethylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-ethylthiophen-2-yl)methyl]propanamide (CID 46475956) is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-ethylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-ethylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-ethylthiophen-2-yl)methyl]propanamide is CCc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)s1.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-ethylthiophen-2-yl)methyl]propanamide?
The InChIKey is YZCWUJMXAJQBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-4-15-6-7-16(24-15)12-19-18(21)9-10-20-25(22,23)17-8-5-13(2)14(3)11-17/h5-8,11,20H,4,9-10,12H2,1-3H3,(H,19,21).
What are the key properties of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-ethylthiophen-2-yl)methyl]propanamide?
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-ethylthiophen-2-yl)methyl]propanamide has a molecular weight of 380.54 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-ethylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 46475956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).