N-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide

C11H17NO3S — CID 66178126

IUPACN-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCC(O)CO
InChIInChI=1S/C11H17NO3S/c13-8-9(14)7-12-11(15)5-1-3-10-4-2-6-16-10/h2,4,6,9,13-14H,1,3,5,7-8H2,(H,12,15)
InChIKeyNOPCPPGMINACNW-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.54
Rot. Bonds7

About N-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide

N-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide (PubChem CID 66178126) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide
PubChem CID66178126
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCC(O)CO
InChIInChI=1S/C11H17NO3S/c13-8-9(14)7-12-11(15)5-1-3-10-4-2-6-16-10/h2,4,6,9,13-14H,1,3,5,7-8H2,(H,12,15)
InChIKeyNOPCPPGMINACNW-UHFFFAOYSA-N
XLogP0.54
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-3-(4-thiophen-2-ylbutanoylamino)propanoic acid
CID 107832922
3-methyl-2-[(4-thiophen-2-ylbutanoylamino)methyl]butanoic acid
CID 65220323
N-(2,3-dihydroxypropyl)-4-phenylbutanamide
CID 66177076
2-methoxy-3-(4-thiophen-2-ylbutanoylamino)propanoic acid
CID 114144206
N-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide
CID 42886375
4-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
CID 13185709
N-(2-hydroxy-2-methylpropyl)-4-thiophen-2-ylbutanamide
CID 65109989
N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide
CID 63284935
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide
CID 63253791
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 111115545
N-hexyl-4-thiophen-2-ylbutanamide
CID 134055852
N-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide
CID 103843539

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide (CID 66178126) is N-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide?
The InChIKey is NOPCPPGMINACNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c13-8-9(14)7-12-11(15)5-1-3-10-4-2-6-16-10/h2,4,6,9,13-14H,1,3,5,7-8H2,(H,12,15).
What are the key properties of N-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide?
N-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide has a molecular weight of 243.33 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 66178126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).