N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-ethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

C29H35N3O3S — CID 25315464

IUPACN-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-ethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(N(C(=O)c2sc(C)nc2C)[C@@H](C(=O)NC2CCCCC2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H35N3O3S/c1-5-21-11-15-24(16-12-21)32(29(34)27-19(2)30-20(3)36-27)26(22-13-17-25(35-4)18-14-22)28(33)31-23-9-7-6-8-10-23/h11-18,23,26H,5-10H2,1-4H3,(H,31,33)/t26-/m1/s1
InChIKeyMSKIOBLNSNFEPS-AREMUKBSSA-N
MW505.68 g/mol
LogP6.17
Rot. Bonds8

About N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-ethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-ethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 25315464) has the molecular formula C29H35N3O3S and a molecular weight of 505.68 g/mol. Its IUPAC name is N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-ethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-ethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID25315464
Molecular FormulaC29H35N3O3S
Molecular Weight505.68 g/mol
Exact Mass505.24
IUPAC NameN-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-ethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(N(C(=O)c2sc(C)nc2C)[C@@H](C(=O)NC2CCCCC2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H35N3O3S/c1-5-21-11-15-24(16-12-21)32(29(34)27-19(2)30-20(3)36-27)26(22-13-17-25(35-4)18-14-22)28(33)31-23-9-7-6-8-10-23/h11-18,23,26H,5-10H2,1-4H3,(H,31,33)/t26-/m1/s1
InChIKeyMSKIOBLNSNFEPS-AREMUKBSSA-N
XLogP6.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.68
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 25315394
N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(3-fluorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 1457919
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 3868737
N-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 3215422
N-(3-chloro-4-methoxyphenyl)-N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 3215419
N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 1167369
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 1457868
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 1459374
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 3184738
4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 40664729
4,5-dichloro-N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-1,2-thiazole-3-carboxamide
CID 3197093
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 3196936

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-ethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-ethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 25315464) is N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-ethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-ethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-ethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is CCc1ccc(N(C(=O)c2sc(C)nc2C)[C@@H](C(=O)NC2CCCCC2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-ethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is MSKIOBLNSNFEPS-AREMUKBSSA-N. The full InChI is InChI=1S/C29H35N3O3S/c1-5-21-11-15-24(16-12-21)32(29(34)27-19(2)30-20(3)36-27)26(22-13-17-25(35-4)18-14-22)28(33)31-23-9-7-6-8-10-23/h11-18,23,26H,5-10H2,1-4H3,(H,31,33)/t26-/m1/s1.
What are the key properties of N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-ethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-ethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 505.68 g/mol, XLogP of 6.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-ethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25315464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).