N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide

C26H29N3O3S — CID 25317764

IUPACN-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C26H29N3O3S/c1-18-12-14-20(15-13-18)29(22(30)17-27-24(31)21-11-8-16-33-21)23(19-9-6-5-7-10-19)25(32)28-26(2,3)4/h5-16,23H,17H2,1-4H3,(H,27,31)(H,28,32)/t23-/m0/s1
InChIKeyUFOYGUHNGQCCDX-QHCPKHFHSA-N
MW463.60 g/mol
LogP4.48
Rot. Bonds7

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

N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 25317764) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID25317764
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC NameN-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C26H29N3O3S/c1-18-12-14-20(15-13-18)29(22(30)17-27-24(31)21-11-8-16-33-21)23(19-9-6-5-7-10-19)25(32)28-26(2,3)4/h5-16,23H,17H2,1-4H3,(H,27,31)(H,28,32)/t23-/m0/s1
InChIKeyUFOYGUHNGQCCDX-QHCPKHFHSA-N
XLogP4.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215912
N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-2,6-dimethylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 25317813
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3211053
N-[2-(4-acetamido-N-[(1S)-2-(2-methylbutan-2-ylamino)-1-(4-methylphenyl)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 98108910
N-[2-(3-fluoro-N-[2-(2-methylbutan-2-ylamino)-1-(4-methylphenyl)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215826
N-[2-[1,3-benzodioxol-5-yl-[(1R)-2-(2-methylbutan-2-ylamino)-1-(4-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 25317120
N-[2-(N-[2-(tert-butylamino)-2-oxoethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215630
N-[2-(N-[(1R)-2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-3-chloro-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 98109076
N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-3-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 98109092
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3211147
N-[2-(N-[2-(tert-butylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215799
N-[2-(N-[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-dimethylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 25316657

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 25317764) is N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)cc1.
What is the InChIKey of N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is UFOYGUHNGQCCDX-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-18-12-14-20(15-13-18)29(22(30)17-27-24(31)21-11-8-16-33-21)23(19-9-6-5-7-10-19)25(32)28-26(2,3)4/h5-16,23H,17H2,1-4H3,(H,27,31)(H,28,32)/t23-/m0/s1.
What are the key properties of N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 463.60 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 25317764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).