4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide

C17H14ClNO2S2 — CID 97041440

IUPAC4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc([C@@H](O)c2cccs2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO2S2/c18-12-5-3-11(4-6-12)17(21)19-10-13-7-8-15(23-13)16(20)14-2-1-9-22-14/h1-9,16,20H,10H2,(H,19,21)/t16-/m0/s1
InChIKeySXLNXAUZKMAXJT-INIZCTEOSA-N
MW363.89 g/mol
LogP4.47
Rot. Bonds5

About 4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide

4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide (PubChem CID 97041440) has the molecular formula C17H14ClNO2S2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
PubChem CID97041440
Molecular FormulaC17H14ClNO2S2
Molecular Weight363.89 g/mol
Exact Mass363.02
IUPAC Name4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc([C@@H](O)c2cccs2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO2S2/c18-12-5-3-11(4-6-12)17(21)19-10-13-7-8-15(23-13)16(20)14-2-1-9-22-14/h1-9,16,20H,10H2,(H,19,21)/t16-/m0/s1
InChIKeySXLNXAUZKMAXJT-INIZCTEOSA-N
XLogP4.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 71804637
2,4-dichloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 90583522
N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 97106530
5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 71804635
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]furan-3-carboxamide
CID 71804666
3,4-diethoxy-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 90583545
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]-2,4,6-trimethylbenzamide
CID 90583475
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide
CID 90583516
1-benzyl-3-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]urea
CID 90583773
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 90583549
1-(2-fluorophenyl)-3-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]urea
CID 90583778

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide (CID 97041440) is 4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide is O=C(NCc1ccc([C@@H](O)c2cccs2)s1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide?
The InChIKey is SXLNXAUZKMAXJT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H14ClNO2S2/c18-12-5-3-11(4-6-12)17(21)19-10-13-7-8-15(23-13)16(20)14-2-1-9-22-14/h1-9,16,20H,10H2,(H,19,21)/t16-/m0/s1.
What are the key properties of 4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide?
4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide has a molecular weight of 363.89 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 97041440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).