N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide

C22H22N2O2S — CID 51184874

IUPACN-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCc1ccc(C(NC(=O)CCNC(=O)c2cccs2)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O2S/c1-16-9-11-18(12-10-16)21(17-6-3-2-4-7-17)24-20(25)13-14-23-22(26)19-8-5-15-27-19/h2-12,15,21H,13-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyLWKJGOWPYLJZQG-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.08
Rot. Bonds7

About N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 51184874) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID51184874
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC NameN-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCc1ccc(C(NC(=O)CCNC(=O)c2cccs2)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O2S/c1-16-9-11-18(12-10-16)21(17-6-3-2-4-7-17)24-20(25)13-14-23-22(26)19-8-5-15-27-19/h2-12,15,21H,13-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyLWKJGOWPYLJZQG-UHFFFAOYSA-N
XLogP4.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 55368199
N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide
CID 18267861
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 43043080
N-[3-[1-(4-bromophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18192625
N-[3-(benzhydrylamino)-3-oxopropyl]-3-methylbenzamide
CID 2442272
N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 115770942
N-[3-[1-(3-benzamidophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55693558
N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497031
2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid
CID 43469860
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275
N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51188243
N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide
CID 92500192

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide (CID 51184874) is N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide is Cc1ccc(C(NC(=O)CCNC(=O)c2cccs2)c2ccccc2)cc1.
What is the InChIKey of N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is LWKJGOWPYLJZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-16-9-11-18(12-10-16)21(17-6-3-2-4-7-17)24-20(25)13-14-23-22(26)19-8-5-15-27-19/h2-12,15,21H,13-14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 51184874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).