5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide

C15H12ClNO2S3 — CID 71804635

IUPAC5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(C(O)c2cccs2)s1)c1ccc(Cl)s1
InChIInChI=1S/C15H12ClNO2S3/c16-13-6-5-12(22-13)15(19)17-8-9-3-4-11(21-9)14(18)10-2-1-7-20-10/h1-7,14,18H,8H2,(H,17,19)
InChIKeyJJMWITTWPVTMCC-UHFFFAOYSA-N
MW369.92 g/mol
LogP4.54
Rot. Bonds5

About 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 71804635) has the molecular formula C15H12ClNO2S3 and a molecular weight of 369.92 g/mol. Its IUPAC name is 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide
PubChem CID71804635
Molecular FormulaC15H12ClNO2S3
Molecular Weight369.92 g/mol
Exact Mass368.97
IUPAC Name5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(C(O)c2cccs2)s1)c1ccc(Cl)s1
InChIInChI=1S/C15H12ClNO2S3/c16-13-6-5-12(22-13)15(19)17-8-9-3-4-11(21-9)14(18)10-2-1-7-20-10/h1-7,14,18H,8H2,(H,17,19)
InChIKeyJJMWITTWPVTMCC-UHFFFAOYSA-N
XLogP4.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 97041440
2,4-dichloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 90583522
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]furan-3-carboxamide
CID 71804666
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2,4,6-trimethylbenzamide
CID 90583475
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide
CID 90583516
4-(dimethylamino)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 71804637
(5-chlorothiophen-2-yl)-thiophen-2-ylmethanol
CID 43234424
(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethanol
CID 93029791
1-benzyl-3-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]urea
CID 90583773
5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide
CID 71804650
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 90583549
N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 32775594

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide (CID 71804635) is 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide is O=C(NCc1ccc(C(O)c2cccs2)s1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is JJMWITTWPVTMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S3/c16-13-6-5-12(22-13)15(19)17-8-9-3-4-11(21-9)14(18)10-2-1-7-20-10/h1-7,14,18H,8H2,(H,17,19).
What are the key properties of 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 369.92 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 71804635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).