5-methyl-N-[2-oxo-2-[(2-phenylmethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide

C22H22N2O3S — CID 55854158

IUPAC5-methyl-N-[2-oxo-2-[(2-phenylmethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NCc2ccccc2OCc2ccccc2)s1
InChIInChI=1S/C22H22N2O3S/c1-16-11-12-20(28-16)22(26)24-14-21(25)23-13-18-9-5-6-10-19(18)27-15-17-7-3-2-4-8-17/h2-12H,13-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyCNAZUNPRWHFQNQ-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.68
Rot. Bonds8

About 5-methyl-N-[2-oxo-2-[(2-phenylmethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide

5-methyl-N-[2-oxo-2-[(2-phenylmethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide (PubChem CID 55854158) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 5-methyl-N-[2-oxo-2-[(2-phenylmethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-oxo-2-[(2-phenylmethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide
PubChem CID55854158
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name5-methyl-N-[2-oxo-2-[(2-phenylmethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NCc2ccccc2OCc2ccccc2)s1
InChIInChI=1S/C22H22N2O3S/c1-16-11-12-20(28-16)22(26)24-14-21(25)23-13-18-9-5-6-10-19(18)27-15-17-7-3-2-4-8-17/h2-12H,13-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyCNAZUNPRWHFQNQ-UHFFFAOYSA-N
XLogP3.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18114779
5-methyl-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]thiophene-2-carboxamide
CID 18107585
5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide
CID 30805020
5-methyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 27839113
N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 30905433
N-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18110779
methyl 2-methoxy-5-[[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate
CID 18158808
2,2,2-trifluoro-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 130158368
N-[[2-(methoxymethyl)phenyl]methyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 32603425
1-[[2-(2-methoxyphenyl)acetyl]amino]-3-[(5-methylthiophene-2-carbonyl)amino]urea
CID 47960208
N-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9270265
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 55806591

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-oxo-2-[(2-phenylmethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-oxo-2-[(2-phenylmethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide (CID 55854158) is 5-methyl-N-[2-oxo-2-[(2-phenylmethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-oxo-2-[(2-phenylmethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-oxo-2-[(2-phenylmethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)NCc2ccccc2OCc2ccccc2)s1.
What is the InChIKey of 5-methyl-N-[2-oxo-2-[(2-phenylmethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide?
The InChIKey is CNAZUNPRWHFQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-16-11-12-20(28-16)22(26)24-14-21(25)23-13-18-9-5-6-10-19(18)27-15-17-7-3-2-4-8-17/h2-12H,13-15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 5-methyl-N-[2-oxo-2-[(2-phenylmethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide?
5-methyl-N-[2-oxo-2-[(2-phenylmethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-oxo-2-[(2-phenylmethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55854158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).