5-chloro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide

C12H12ClNO3S — CID 97106233

IUPAC5-chloro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide
SMILESO=C(NCC[C@H](O)c1ccoc1)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClNO3S/c13-11-2-1-10(18-11)12(16)14-5-3-9(15)8-4-6-17-7-8/h1-2,4,6-7,9,15H,3,5H2,(H,14,16)/t9-/m0/s1
InChIKeyWTFJYWXLYLFKIP-VIFPVBQESA-N
MW285.75 g/mol
LogP2.85
Rot. Bonds5

About 5-chloro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide

5-chloro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide (PubChem CID 97106233) has the molecular formula C12H12ClNO3S and a molecular weight of 285.75 g/mol. Its IUPAC name is 5-chloro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide
PubChem CID97106233
Molecular FormulaC12H12ClNO3S
Molecular Weight285.75 g/mol
Exact Mass285.02
IUPAC Name5-chloro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide
SMILESO=C(NCC[C@H](O)c1ccoc1)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClNO3S/c13-11-2-1-10(18-11)12(16)14-5-3-9(15)8-4-6-17-7-8/h1-2,4,6-7,9,15H,3,5H2,(H,14,16)/t9-/m0/s1
InChIKeyWTFJYWXLYLFKIP-VIFPVBQESA-N
XLogP2.85
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 95986574
5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-carboxamide
CID 71787678
methyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate
CID 97106259
5-chloro-N-(3-hydroxy-4-methoxybutyl)thiophene-2-carboxamide
CID 103877510
3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 97106229
1-[(4-chlorophenyl)methyl]-3-[3-(furan-3-yl)-3-hydroxypropyl]urea
CID 71804506
3-bromo-N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 97106275
N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide
CID 71804418
N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide
CID 121132914
5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide
CID 78109019
5-chloro-N-(2-hydroxypentyl)thiophene-2-carboxamide
CID 115700935
(E)-3-(2-chlorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide
CID 71804425

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide (CID 97106233) is 5-chloro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide is O=C(NCC[C@H](O)c1ccoc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide?
The InChIKey is WTFJYWXLYLFKIP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12ClNO3S/c13-11-2-1-10(18-11)12(16)14-5-3-9(15)8-4-6-17-7-8/h1-2,4,6-7,9,15H,3,5H2,(H,14,16)/t9-/m0/s1.
What are the key properties of 5-chloro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide?
5-chloro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide has a molecular weight of 285.75 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide is sourced from PubChem (CID 97106233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).