3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide

C9H14N2O3S2 — CID 47028254

IUPAC3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide
SMILESCS(=O)(=O)NCCC(=O)NCc1cccs1
InChIInChI=1S/C9H14N2O3S2/c1-16(13,14)11-5-4-9(12)10-7-8-3-2-6-15-8/h2-3,6,11H,4-5,7H2,1H3,(H,10,12)
InChIKeyGSLJLSKQYMDWAT-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.30
Rot. Bonds6

About 3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide

3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 47028254) has the molecular formula C9H14N2O3S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID47028254
Molecular FormulaC9H14N2O3S2
Molecular Weight262.36 g/mol
Exact Mass262.04
IUPAC Name3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide
SMILESCS(=O)(=O)NCCC(=O)NCc1cccs1
InChIInChI=1S/C9H14N2O3S2/c1-16(13,14)11-5-4-9(12)10-7-8-3-2-6-15-8/h2-3,6,11H,4-5,7H2,1H3,(H,10,12)
InChIKeyGSLJLSKQYMDWAT-UHFFFAOYSA-N
XLogP0.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 131909908
3-acetamido-N-(thiophen-2-ylmethyl)propanamide
CID 47099194
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide
CID 4194172
ethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate
CID 38415489
N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide
CID 51362734
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 1246126
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 35009611
3-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 16794949
3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 39050613

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide (CID 47028254) is 3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide is CS(=O)(=O)NCCC(=O)NCc1cccs1.
What is the InChIKey of 3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is GSLJLSKQYMDWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S2/c1-16(13,14)11-5-4-9(12)10-7-8-3-2-6-15-8/h2-3,6,11H,4-5,7H2,1H3,(H,10,12).
What are the key properties of 3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide?
3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 262.36 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 47028254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).