N-[(5-chlorothiophen-2-yl)methyl]-2-phenylbenzamide

C18H14ClNOS — CID 33177904

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-phenylbenzamide
SMILESO=C(NCc1ccc(Cl)s1)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H14ClNOS/c19-17-11-10-14(22-17)12-20-18(21)16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21)
InChIKeyYFKFFUMKYLTAHY-UHFFFAOYSA-N
MW327.84 g/mol
LogP5.00
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-2-phenylbenzamide

N-[(5-chlorothiophen-2-yl)methyl]-2-phenylbenzamide (PubChem CID 33177904) has the molecular formula C18H14ClNOS and a molecular weight of 327.84 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-phenylbenzamide
PubChem CID33177904
Molecular FormulaC18H14ClNOS
Molecular Weight327.84 g/mol
Exact Mass327.05
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-phenylbenzamide
SMILESO=C(NCc1ccc(Cl)s1)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H14ClNOS/c19-17-11-10-14(22-17)12-20-18(21)16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21)
InChIKeyYFKFFUMKYLTAHY-UHFFFAOYSA-N
XLogP5.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide
CID 114344423
2-amino-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 115540742
N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 32826150
N-[(5-chlorothiophen-2-yl)methyl]-3-pyridin-4-yl-1H-indazole-7-carboxamide
CID 156886673
2-[3-[(5-chlorothiophen-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 138042604
N-[(5-chlorothiophen-2-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 32829207
N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 32827088
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-sulfanylbenzamide
CID 107030591
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 50988904
4-(benzenesulfonamido)-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 32831454
3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 114023582
N-[(5-chlorothiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261709

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-phenylbenzamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-phenylbenzamide (CID 33177904) is N-[(5-chlorothiophen-2-yl)methyl]-2-phenylbenzamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-phenylbenzamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-phenylbenzamide is O=C(NCc1ccc(Cl)s1)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-phenylbenzamide?
The InChIKey is YFKFFUMKYLTAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNOS/c19-17-11-10-14(22-17)12-20-18(21)16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-phenylbenzamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-phenylbenzamide has a molecular weight of 327.84 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-phenylbenzamide is sourced from PubChem (CID 33177904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).