N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide

C20H17ClN2O3S — CID 3161370

IUPACN-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C20H17ClN2O3S/c1-26-17-12-15(22-19(24)11-13-4-6-14(21)7-5-13)8-9-16(17)23-20(25)18-3-2-10-27-18/h2-10,12H,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyKYEBVJYFVOBOBK-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.84
Rot. Bonds6

About N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide

N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide (PubChem CID 3161370) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
PubChem CID3161370
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC NameN-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C20H17ClN2O3S/c1-26-17-12-15(22-19(24)11-13-4-6-14(21)7-5-13)8-9-16(17)23-20(25)18-3-2-10-27-18/h2-10,12H,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyKYEBVJYFVOBOBK-UHFFFAOYSA-N
XLogP4.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 92944479
N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 1047583
N-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 17102328
N-[2-methoxy-4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 17117567
N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161499
N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518535
5-(4-bromophenyl)-N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
CID 17117556
N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 17115520
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 1258183
N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide
CID 6491060
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide (CID 3161370) is N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide is COc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1NC(=O)c1cccs1.
What is the InChIKey of N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The InChIKey is KYEBVJYFVOBOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c1-26-17-12-15(22-19(24)11-13-4-6-14(21)7-5-13)8-9-16(17)23-20(25)18-3-2-10-27-18/h2-10,12H,11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide?
N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide has a molecular weight of 400.89 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 3161370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).