N-[2-(4-chlorophenyl)propan-2-yl]-3-methoxythiophene-2-carboxamide

C15H16ClNO2S — CID 110445987

IUPACN-[2-(4-chlorophenyl)propan-2-yl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO2S/c1-15(2,10-4-6-11(16)7-5-10)17-14(18)13-12(19-3)8-9-20-13/h4-9H,1-3H3,(H,17,18)
InChIKeyNVWDTMCFXPKCNK-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.08
Rot. Bonds4

About N-[2-(4-chlorophenyl)propan-2-yl]-3-methoxythiophene-2-carboxamide

N-[2-(4-chlorophenyl)propan-2-yl]-3-methoxythiophene-2-carboxamide (PubChem CID 110445987) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)propan-2-yl]-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)propan-2-yl]-3-methoxythiophene-2-carboxamide
PubChem CID110445987
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC NameN-[2-(4-chlorophenyl)propan-2-yl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO2S/c1-15(2,10-4-6-11(16)7-5-10)17-14(18)13-12(19-3)8-9-20-13/h4-9H,1-3H3,(H,17,18)
InChIKeyNVWDTMCFXPKCNK-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-chloro-2-methylbutan-2-yl)-3-methoxythiophene-2-carboxamide
CID 114303689
N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide
CID 115364635
5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide
CID 166667390
N-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide
CID 4594147
methyl 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methylpentanoate
CID 78945933
N-carbamoyl-3-methoxythiophene-2-carboxamide
CID 81128193
2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)propan-2-yl]acetamide
CID 113091682
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-methoxythiophene-2-carboxamide
CID 107867966
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxythiophene-2-carboxamide
CID 81122517
N-[2-(chloromethyl)-2-ethylbutyl]-3-methoxythiophene-2-carboxamide
CID 106253944
2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 114967861
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea
CID 113216338

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)propan-2-yl]-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)propan-2-yl]-3-methoxythiophene-2-carboxamide (CID 110445987) is N-[2-(4-chlorophenyl)propan-2-yl]-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)propan-2-yl]-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)propan-2-yl]-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)NC(C)(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)propan-2-yl]-3-methoxythiophene-2-carboxamide?
The InChIKey is NVWDTMCFXPKCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-15(2,10-4-6-11(16)7-5-10)17-14(18)13-12(19-3)8-9-20-13/h4-9H,1-3H3,(H,17,18).
What are the key properties of N-[2-(4-chlorophenyl)propan-2-yl]-3-methoxythiophene-2-carboxamide?
N-[2-(4-chlorophenyl)propan-2-yl]-3-methoxythiophene-2-carboxamide has a molecular weight of 309.82 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)propan-2-yl]-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 110445987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).