N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide

C27H29N3O3S — CID 3211053

IUPACN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(N(C(=O)CNC(=O)c2cccs2)C(C(=O)NC2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C27H29N3O3S/c1-19-13-15-22(16-14-19)30(24(31)18-28-26(32)23-12-7-17-34-23)25(20-8-3-2-4-9-20)27(33)29-21-10-5-6-11-21/h2-4,7-9,12-17,21,25H,5-6,10-11,18H2,1H3,(H,28,32)(H,29,33)
InChIKeyDDIGERSWVNOOHJ-UHFFFAOYSA-N
MW475.61 g/mol
LogP4.62
Rot. Bonds8

About N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3211053) has the molecular formula C27H29N3O3S and a molecular weight of 475.61 g/mol. Its IUPAC name is N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3211053
Molecular FormulaC27H29N3O3S
Molecular Weight475.61 g/mol
Exact Mass475.19
IUPAC NameN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(N(C(=O)CNC(=O)c2cccs2)C(C(=O)NC2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C27H29N3O3S/c1-19-13-15-22(16-14-19)30(24(31)18-28-26(32)23-12-7-17-34-23)25(20-8-3-2-4-9-20)27(33)29-21-10-5-6-11-21/h2-4,7-9,12-17,21,25H,5-6,10-11,18H2,1H3,(H,28,32)(H,29,33)
InChIKeyDDIGERSWVNOOHJ-UHFFFAOYSA-N
XLogP4.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3211147
N-[2-[[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211077
N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 25317764
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3211129
N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-(2-phenylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211058
N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211059
N-[2-(4-ethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215887
N-[2-(2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215866
N-[2-oxo-2-(2,4,6-trimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]anilino)ethyl]thiophene-2-carboxamide
CID 25317281
N-[2-[[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211192
N-[2-(N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3210955
N-[2-(N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215912

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 3211053) is N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(N(C(=O)CNC(=O)c2cccs2)C(C(=O)NC2CCCC2)c2ccccc2)cc1.
What is the InChIKey of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is DDIGERSWVNOOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3S/c1-19-13-15-22(16-14-19)30(24(31)18-28-26(32)23-12-7-17-34-23)25(20-8-3-2-4-9-20)27(33)29-21-10-5-6-11-21/h2-4,7-9,12-17,21,25H,5-6,10-11,18H2,1H3,(H,28,32)(H,29,33).
What are the key properties of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 475.61 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3211053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).