N-(4-hydroxy-1-methoxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide

C12H20N2O5S2 — CID 103850899

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESCOCC(CCO)NC(=O)CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C12H20N2O5S2/c1-19-9-10(5-7-15)14-11(16)4-6-13-21(17,18)12-3-2-8-20-12/h2-3,8,10,13,15H,4-7,9H2,1H3,(H,14,16)
InChIKeyLVFLCNBMWUFFSW-UHFFFAOYSA-N
MW336.44 g/mol
LogP-0.07
Rot. Bonds10

About N-(4-hydroxy-1-methoxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide

N-(4-hydroxy-1-methoxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 103850899) has the molecular formula C12H20N2O5S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID103850899
Molecular FormulaC12H20N2O5S2
Molecular Weight336.44 g/mol
Exact Mass336.08
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESCOCC(CCO)NC(=O)CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C12H20N2O5S2/c1-19-9-10(5-7-15)14-11(16)4-6-13-21(17,18)12-3-2-8-20-12/h2-3,8,10,13,15H,4-7,9H2,1H3,(H,14,16)
InChIKeyLVFLCNBMWUFFSW-UHFFFAOYSA-N
XLogP-0.07
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 115283498
N-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 65315408
3-(benzenesulfonyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103851039
3-methyl-4-[3-(thiophen-2-ylsulfonylamino)propanoylamino]butanoic acid
CID 81065023
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084
N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 4614958
2-(2-methoxyethoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 108574842
methyl 6-(thiophen-2-ylsulfonylamino)hexanoate
CID 43404961
N-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 115636829
N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide
CID 15997579
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)propanamide
CID 18116342
N-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide
CID 83202524

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide (CID 103850899) is N-(4-hydroxy-1-methoxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide is COCC(CCO)NC(=O)CCNS(=O)(=O)c1cccs1.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is LVFLCNBMWUFFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S2/c1-19-9-10(5-7-15)14-11(16)4-6-13-21(17,18)12-3-2-8-20-12/h2-3,8,10,13,15H,4-7,9H2,1H3,(H,14,16).
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide?
N-(4-hydroxy-1-methoxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 336.44 g/mol, XLogP of -0.07, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 103850899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).