N-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide

C11H18N2O4S2 — CID 115283498

IUPACN-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC(CCO)NC(=O)CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C11H18N2O4S2/c1-9(5-7-14)13-10(15)4-6-12-19(16,17)11-3-2-8-18-11/h2-3,8-9,12,14H,4-7H2,1H3,(H,13,15)
InChIKeyBUNNFEKRKPCZOD-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.30
Rot. Bonds8

About N-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide

N-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 115283498) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID115283498
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC NameN-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC(CCO)NC(=O)CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C11H18N2O4S2/c1-9(5-7-14)13-10(15)4-6-12-19(16,17)11-3-2-8-18-11/h2-3,8-9,12,14H,4-7H2,1H3,(H,13,15)
InChIKeyBUNNFEKRKPCZOD-UHFFFAOYSA-N
XLogP0.30
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxy-1-methoxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 103850899
N-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 65315408
N-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide
CID 115477913
3-methyl-4-[3-(thiophen-2-ylsulfonylamino)propanoylamino]butanoic acid
CID 81065023
2-[methyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 62626367
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)propanamide
CID 18116342
N-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 115636829
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(thiophen-2-ylsulfonylamino)propanamide
CID 40720173
N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 4614958
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7837000
4-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]pentanoic acid
CID 119188469

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide (CID 115283498) is N-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide is CC(CCO)NC(=O)CCNS(=O)(=O)c1cccs1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is BUNNFEKRKPCZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-9(5-7-14)13-10(15)4-6-12-19(16,17)11-3-2-8-18-11/h2-3,8-9,12,14H,4-7H2,1H3,(H,13,15).
What are the key properties of N-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide?
N-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 306.41 g/mol, XLogP of 0.30, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 115283498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).