4-ethyl-N-[[2-(methanesulfonamido)phenyl]methyl]-5-propylthiophene-2-carboxamide

C18H24N2O3S2 — CID 52607278

IUPAC4-ethyl-N-[[2-(methanesulfonamido)phenyl]methyl]-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NCc2ccccc2NS(C)(=O)=O)cc1CC
InChIInChI=1S/C18H24N2O3S2/c1-4-8-16-13(5-2)11-17(24-16)18(21)19-12-14-9-6-7-10-15(14)20-25(3,22)23/h6-7,9-11,20H,4-5,8,12H2,1-3H3,(H,19,21)
InChIKeyMKEVBMZRXQWQML-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.56
Rot. Bonds8

About 4-ethyl-N-[[2-(methanesulfonamido)phenyl]methyl]-5-propylthiophene-2-carboxamide

4-ethyl-N-[[2-(methanesulfonamido)phenyl]methyl]-5-propylthiophene-2-carboxamide (PubChem CID 52607278) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 4-ethyl-N-[[2-(methanesulfonamido)phenyl]methyl]-5-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[[2-(methanesulfonamido)phenyl]methyl]-5-propylthiophene-2-carboxamide
PubChem CID52607278
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC Name4-ethyl-N-[[2-(methanesulfonamido)phenyl]methyl]-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NCc2ccccc2NS(C)(=O)=O)cc1CC
InChIInChI=1S/C18H24N2O3S2/c1-4-8-16-13(5-2)11-17(24-16)18(21)19-12-14-9-6-7-10-15(14)20-25(3,22)23/h6-7,9-11,20H,4-5,8,12H2,1-3H3,(H,19,21)
InChIKeyMKEVBMZRXQWQML-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide
CID 55476034
4-ethyl-N-(2-methylphenyl)-5-propylthiophene-2-carboxamide
CID 26914221
4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide
CID 119501880
2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]acetic acid
CID 43354383
1-(4-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 46476514
methyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate
CID 60656066
3-bromo-5-fluoro-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 46476520
2-ethoxy-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 46476558
N-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-5-propylthiophene-2-carboxamide
CID 9035628
N-[[2-(methanesulfonamido)phenyl]methyl]-4-methylsulfanylbenzamide
CID 78875776
4-ethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propylthiophene-2-carboxamide
CID 55433085
4-ethyl-N-methyl-N-phenyl-5-propylthiophene-2-carboxamide
CID 134028656

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[2-(methanesulfonamido)phenyl]methyl]-5-propylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-[[2-(methanesulfonamido)phenyl]methyl]-5-propylthiophene-2-carboxamide (CID 52607278) is 4-ethyl-N-[[2-(methanesulfonamido)phenyl]methyl]-5-propylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[[2-(methanesulfonamido)phenyl]methyl]-5-propylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[[2-(methanesulfonamido)phenyl]methyl]-5-propylthiophene-2-carboxamide is CCCc1sc(C(=O)NCc2ccccc2NS(C)(=O)=O)cc1CC.
What is the InChIKey of 4-ethyl-N-[[2-(methanesulfonamido)phenyl]methyl]-5-propylthiophene-2-carboxamide?
The InChIKey is MKEVBMZRXQWQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-4-8-16-13(5-2)11-17(24-16)18(21)19-12-14-9-6-7-10-15(14)20-25(3,22)23/h6-7,9-11,20H,4-5,8,12H2,1-3H3,(H,19,21).
What are the key properties of 4-ethyl-N-[[2-(methanesulfonamido)phenyl]methyl]-5-propylthiophene-2-carboxamide?
4-ethyl-N-[[2-(methanesulfonamido)phenyl]methyl]-5-propylthiophene-2-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[2-(methanesulfonamido)phenyl]methyl]-5-propylthiophene-2-carboxamide is sourced from PubChem (CID 52607278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).