N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide

C28H28N4O3S — CID 42826066

IUPACN-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC2CC2)C(=O)c2cccs2)c1
InChIInChI=1S/C28H28N4O3S/c1-2-35-23-11-6-10-22(16-23)32-18-24(21-8-4-3-5-9-21)29-28(32)30-26(33)19-31(17-20-13-14-20)27(34)25-12-7-15-36-25/h3-12,15-16,18,20H,2,13-14,17,19H2,1H3,(H,29,30,33)
InChIKeyKBARJAADBJNIRV-UHFFFAOYSA-N
MW500.62 g/mol
LogP5.49
Rot. Bonds10

About N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide

N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 42826066) has the molecular formula C28H28N4O3S and a molecular weight of 500.62 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID42826066
Molecular FormulaC28H28N4O3S
Molecular Weight500.62 g/mol
Exact Mass500.19
IUPAC NameN-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC2CC2)C(=O)c2cccs2)c1
InChIInChI=1S/C28H28N4O3S/c1-2-35-23-11-6-10-22(16-23)32-18-24(21-8-4-3-5-9-21)29-28(32)30-26(33)19-31(17-20-13-14-20)27(34)25-12-7-15-36-25/h3-12,15-16,18,20H,2,13-14,17,19H2,1H3,(H,29,30,33)
InChIKeyKBARJAADBJNIRV-UHFFFAOYSA-N
XLogP5.49
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.62
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 46144332
N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98440218
N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 46144318
N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98440219
2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46144328
N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide
CID 42827290
2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]acetamide
CID 93149410
N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]thiophene-2-carboxamide
CID 93151281
N-benzyl-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42826368
N-benzyl-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42827140
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 98443032
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 98443031

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 42826066) is N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide is CCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC2CC2)C(=O)c2cccs2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is KBARJAADBJNIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3S/c1-2-35-23-11-6-10-22(16-23)32-18-24(21-8-4-3-5-9-21)29-28(32)30-26(33)19-31(17-20-13-14-20)27(34)25-12-7-15-36-25/h3-12,15-16,18,20H,2,13-14,17,19H2,1H3,(H,29,30,33).
What are the key properties of N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 500.62 g/mol, XLogP of 5.49, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 42826066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).