N-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide

C24H26N4O2S — CID 25410089

IUPACN-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
SMILESCCc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2ccccc2)cc1
InChIInChI=1S/C24H26N4O2S/c1-2-17-12-14-18(15-13-17)22(23(29)25-19-8-6-7-9-19)28(20-10-4-3-5-11-20)24(30)21-16-31-27-26-21/h3-5,10-16,19,22H,2,6-9H2,1H3,(H,25,29)/t22-/m0/s1
InChIKeySPYAOYLTVAIWHB-QFIPXVFZSA-N
MW434.57 g/mol
LogP4.55
Rot. Bonds7

About N-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide

N-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide (PubChem CID 25410089) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
PubChem CID25410089
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
SMILESCCc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2ccccc2)cc1
InChIInChI=1S/C24H26N4O2S/c1-2-17-12-14-18(15-13-17)22(23(29)25-19-8-6-7-9-19)28(20-10-4-3-5-11-20)24(30)21-16-31-27-26-21/h3-5,10-16,19,22H,2,6-9H2,1H3,(H,25,29)/t22-/m0/s1
InChIKeySPYAOYLTVAIWHB-QFIPXVFZSA-N
XLogP4.55
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)thiadiazole-4-carboxamide
CID 40573587
N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 3221783
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
CID 3222586
N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 3222027
N-[2-(cyclohexylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 3219469
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 3219206
N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404334
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 24792301
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404331
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404330
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 7404338
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
CID 40602388

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
The IUPAC name of N-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide (CID 25410089) is N-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
The canonical SMILES for N-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide is CCc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2ccccc2)cc1.
What is the InChIKey of N-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
The InChIKey is SPYAOYLTVAIWHB-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-2-17-12-14-18(15-13-17)22(23(29)25-19-8-6-7-9-19)28(20-10-4-3-5-11-20)24(30)21-16-31-27-26-21/h3-5,10-16,19,22H,2,6-9H2,1H3,(H,25,29)/t22-/m0/s1.
What are the key properties of N-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
N-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide is sourced from PubChem (CID 25410089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).