N-[1-(4-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide

C16H19FN2O3S2 — CID 43034279

IUPACN-[1-(4-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(CCNS(C)(=O)=O)s1)c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O3S2/c1-11(12-3-5-13(17)6-4-12)19-16(20)15-8-7-14(23-15)9-10-18-24(2,21)22/h3-8,11,18H,9-10H2,1-2H3,(H,19,20)
InChIKeyKLLSNLUKJMQTLA-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.47
Rot. Bonds7

About N-[1-(4-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide

N-[1-(4-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide (PubChem CID 43034279) has the molecular formula C16H19FN2O3S2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
PubChem CID43034279
Molecular FormulaC16H19FN2O3S2
Molecular Weight370.47 g/mol
Exact Mass370.08
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(CCNS(C)(=O)=O)s1)c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O3S2/c1-11(12-3-5-13(17)6-4-12)19-16(20)15-8-7-14(23-15)9-10-18-24(2,21)22/h3-8,11,18H,9-10H2,1-2H3,(H,19,20)
InChIKeyKLLSNLUKJMQTLA-UHFFFAOYSA-N
XLogP2.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 46523672
N-(4-fluoro-2-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 27286968
5-[2-(methanesulfonamido)ethyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]thiophene-2-carboxamide
CID 39446434
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 30525669
N-[2-[5-[2-(4-propan-2-ylphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 39044976
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 27315933
N-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 17409937
N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 27285772
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 26971328
4-[2-(methanesulfonamido)ethyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 42921742
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55485219
2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid
CID 119353163

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide (CID 43034279) is N-[1-(4-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide is CC(NC(=O)c1ccc(CCNS(C)(=O)=O)s1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The InChIKey is KLLSNLUKJMQTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3S2/c1-11(12-3-5-13(17)6-4-12)19-16(20)15-8-7-14(23-15)9-10-18-24(2,21)22/h3-8,11,18H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 43034279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).