5-[2-(methanesulfonamido)ethyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]thiophene-2-carboxamide

C16H22N2O3S3 — CID 39446434

IUPAC5-[2-(methanesulfonamido)ethyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]thiophene-2-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(CCNS(C)(=O)=O)s1)c1cccs1
InChIInChI=1S/C16H22N2O3S3/c1-11(2)15(13-5-4-10-22-13)18-16(19)14-7-6-12(23-14)8-9-17-24(3,20)21/h4-7,10-11,15,17H,8-9H2,1-3H3,(H,18,19)/t15-/m1/s1
InChIKeyYSBCYLFMJUAPRO-OAHLLOKOSA-N
MW386.56 g/mol
LogP3.03
Rot. Bonds8

About 5-[2-(methanesulfonamido)ethyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]thiophene-2-carboxamide

5-[2-(methanesulfonamido)ethyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]thiophene-2-carboxamide (PubChem CID 39446434) has the molecular formula C16H22N2O3S3 and a molecular weight of 386.56 g/mol. Its IUPAC name is 5-[2-(methanesulfonamido)ethyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[2-(methanesulfonamido)ethyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]thiophene-2-carboxamide
PubChem CID39446434
Molecular FormulaC16H22N2O3S3
Molecular Weight386.56 g/mol
Exact Mass386.08
IUPAC Name5-[2-(methanesulfonamido)ethyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]thiophene-2-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(CCNS(C)(=O)=O)s1)c1cccs1
InChIInChI=1S/C16H22N2O3S3/c1-11(2)15(13-5-4-10-22-13)18-16(19)14-7-6-12(23-14)8-9-17-24(3,20)21/h4-7,10-11,15,17H,8-9H2,1-3H3,(H,18,19)/t15-/m1/s1
InChIKeyYSBCYLFMJUAPRO-OAHLLOKOSA-N
XLogP3.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-(methanesulfonamido)ethyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]thiophene-2-carboxamide with MolForge

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Related Compounds

[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55485219
N-[1-(4-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 43034279
N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 27285772
2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid
CID 119353163
N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 46523672
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55934875
5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 27006016
5-[2-(methanesulfonamido)ethyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 30600984
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
N-[2-[5-[2-(4-propan-2-ylphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 39044976
N-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 17409937
N-(4-fluoro-2-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 27286968

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methanesulfonamido)ethyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]thiophene-2-carboxamide?
The IUPAC name of 5-[2-(methanesulfonamido)ethyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]thiophene-2-carboxamide (CID 39446434) is 5-[2-(methanesulfonamido)ethyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[2-(methanesulfonamido)ethyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[2-(methanesulfonamido)ethyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]thiophene-2-carboxamide is CC(C)[C@@H](NC(=O)c1ccc(CCNS(C)(=O)=O)s1)c1cccs1.
What is the InChIKey of 5-[2-(methanesulfonamido)ethyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]thiophene-2-carboxamide?
The InChIKey is YSBCYLFMJUAPRO-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N2O3S3/c1-11(2)15(13-5-4-10-22-13)18-16(19)14-7-6-12(23-14)8-9-17-24(3,20)21/h4-7,10-11,15,17H,8-9H2,1-3H3,(H,18,19)/t15-/m1/s1.
What are the key properties of 5-[2-(methanesulfonamido)ethyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]thiophene-2-carboxamide?
5-[2-(methanesulfonamido)ethyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]thiophene-2-carboxamide has a molecular weight of 386.56 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methanesulfonamido)ethyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]thiophene-2-carboxamide is sourced from PubChem (CID 39446434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).