5-chloro-N-(3-hydroxy-4-methoxybutyl)thiophene-2-carboxamide

C10H14ClNO3S — CID 103877510

IUPAC5-chloro-N-(3-hydroxy-4-methoxybutyl)thiophene-2-carboxamide
SMILESCOCC(O)CCNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO3S/c1-15-6-7(13)4-5-12-10(14)8-2-3-9(11)16-8/h2-3,7,13H,4-6H2,1H3,(H,12,14)
InChIKeyNUIFOZIEBDOADD-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.53
Rot. Bonds6

About 5-chloro-N-(3-hydroxy-4-methoxybutyl)thiophene-2-carboxamide

5-chloro-N-(3-hydroxy-4-methoxybutyl)thiophene-2-carboxamide (PubChem CID 103877510) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 5-chloro-N-(3-hydroxy-4-methoxybutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-hydroxy-4-methoxybutyl)thiophene-2-carboxamide
PubChem CID103877510
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name5-chloro-N-(3-hydroxy-4-methoxybutyl)thiophene-2-carboxamide
SMILESCOCC(O)CCNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO3S/c1-15-6-7(13)4-5-12-10(14)8-2-3-9(11)16-8/h2-3,7,13H,4-6H2,1H3,(H,12,14)
InChIKeyNUIFOZIEBDOADD-UHFFFAOYSA-N
XLogP1.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chlorothiophene-2-carbonyl)amino]ethyl 5-chlorothiophene-2-carboxylate
CID 169435764
5-chloro-N-(2-hydroxypentyl)thiophene-2-carboxamide
CID 115700935
methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoate
CID 67455828
[(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-ethylbutyl] piperidine-1-carboxylate
CID 137372945
4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 113343606
5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-carboxamide
CID 71787678
3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide
CID 107168176
5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide
CID 78109019
2-[(3-hydroxy-4-methoxybutyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 106244270
4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 114162951
2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
CID 103877191
5-chloro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide
CID 97106233

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-hydroxy-4-methoxybutyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-hydroxy-4-methoxybutyl)thiophene-2-carboxamide (CID 103877510) is 5-chloro-N-(3-hydroxy-4-methoxybutyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-hydroxy-4-methoxybutyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-hydroxy-4-methoxybutyl)thiophene-2-carboxamide is COCC(O)CCNC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3-hydroxy-4-methoxybutyl)thiophene-2-carboxamide?
The InChIKey is NUIFOZIEBDOADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-15-6-7(13)4-5-12-10(14)8-2-3-9(11)16-8/h2-3,7,13H,4-6H2,1H3,(H,12,14).
What are the key properties of 5-chloro-N-(3-hydroxy-4-methoxybutyl)thiophene-2-carboxamide?
5-chloro-N-(3-hydroxy-4-methoxybutyl)thiophene-2-carboxamide has a molecular weight of 263.75 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-hydroxy-4-methoxybutyl)thiophene-2-carboxamide is sourced from PubChem (CID 103877510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).