4-methoxy-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide

C27H32N4O4S — CID 92993504

IUPAC4-methoxy-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)N[C@@H](C)c3ccccc3)cs2)CC(C)C)cc1
InChIInChI=1S/C27H32N4O4S/c1-18(2)15-31(26(34)21-10-12-23(35-4)13-11-21)16-25(33)30-27-29-22(17-36-27)14-24(32)28-19(3)20-8-6-5-7-9-20/h5-13,17-19H,14-16H2,1-4H3,(H,28,32)(H,29,30,33)/t19-/m0/s1
InChIKeyVFINIIWHQKKHNI-IBGZPJMESA-N
MW508.64 g/mol
LogP4.31
Rot. Bonds11

About 4-methoxy-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide

4-methoxy-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide (PubChem CID 92993504) has the molecular formula C27H32N4O4S and a molecular weight of 508.64 g/mol. Its IUPAC name is 4-methoxy-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
PubChem CID92993504
Molecular FormulaC27H32N4O4S
Molecular Weight508.64 g/mol
Exact Mass508.21
IUPAC Name4-methoxy-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)N[C@@H](C)c3ccccc3)cs2)CC(C)C)cc1
InChIInChI=1S/C27H32N4O4S/c1-18(2)15-31(26(34)21-10-12-23(35-4)13-11-21)16-25(33)30-27-29-22(17-36-27)14-24(32)28-19(3)20-8-6-5-7-9-20/h5-13,17-19H,14-16H2,1-4H3,(H,28,32)(H,29,30,33)/t19-/m0/s1
InChIKeyVFINIIWHQKKHNI-IBGZPJMESA-N
XLogP4.31
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.64
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 3502903
2-[2-[[2-[(4-fluorobenzoyl)-(2-methylpropyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 4690946
4-methyl-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 4653317
N-[2-[[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 1030341
N-[2-[[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 4279571
3,5-dimethoxy-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18568059
N-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3,4-dichloro-N-(2-methylpropyl)benzamide
CID 4318791
4-butoxy-N-(2-methylpropyl)-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 3907965
N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 5186555
N-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 42778983
3,4-dichloro-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 42778999
N-[2-[[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3558568

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide (CID 92993504) is 4-methoxy-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide is COc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)N[C@@H](C)c3ccccc3)cs2)CC(C)C)cc1.
What is the InChIKey of 4-methoxy-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide?
The InChIKey is VFINIIWHQKKHNI-IBGZPJMESA-N. The full InChI is InChI=1S/C27H32N4O4S/c1-18(2)15-31(26(34)21-10-12-23(35-4)13-11-21)16-25(33)30-27-29-22(17-36-27)14-24(32)28-19(3)20-8-6-5-7-9-20/h5-13,17-19H,14-16H2,1-4H3,(H,28,32)(H,29,30,33)/t19-/m0/s1.
What are the key properties of 4-methoxy-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide?
4-methoxy-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide has a molecular weight of 508.64 g/mol, XLogP of 4.31, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 92993504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).