2-(3,4-dimethoxyphenyl)-N-[2-[[2-(5-fluorothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]amino]-2-oxoethyl]-2-methoxy-N-propan-2-ylacetamide

C29H31FN4O5S — CID 24856119

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-[[2-(5-fluorothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]amino]-2-oxoethyl]-2-methoxy-N-propan-2-ylacetamide
SMILESCOc1ccc(C(OC)C(=O)N(CC(=O)Nc2nc(-c3ccc(F)s3)[nH]c2-c2ccccc2)C(C)C)cc1OC
InChIInChI=1S/C29H31FN4O5S/c1-17(2)34(29(36)26(39-5)19-11-12-20(37-3)21(15-19)38-4)16-24(35)31-28-25(18-9-7-6-8-10-18)32-27(33-28)22-13-14-23(30)40-22/h6-15,17,26H,16H2,1-5H3,(H,31,35)(H,32,33)
InChIKeyKYYCIEUGYFPMIW-UHFFFAOYSA-N
MW566.66 g/mol
LogP5.52
Rot. Bonds11

About 2-(3,4-dimethoxyphenyl)-N-[2-[[2-(5-fluorothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]amino]-2-oxoethyl]-2-methoxy-N-propan-2-ylacetamide

2-(3,4-dimethoxyphenyl)-N-[2-[[2-(5-fluorothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]amino]-2-oxoethyl]-2-methoxy-N-propan-2-ylacetamide (PubChem CID 24856119) has the molecular formula C29H31FN4O5S and a molecular weight of 566.66 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-[[2-(5-fluorothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]amino]-2-oxoethyl]-2-methoxy-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-[[2-(5-fluorothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]amino]-2-oxoethyl]-2-methoxy-N-propan-2-ylacetamide
PubChem CID24856119
Molecular FormulaC29H31FN4O5S
Molecular Weight566.66 g/mol
Exact Mass566.20
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-[[2-(5-fluorothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]amino]-2-oxoethyl]-2-methoxy-N-propan-2-ylacetamide
SMILESCOc1ccc(C(OC)C(=O)N(CC(=O)Nc2nc(-c3ccc(F)s3)[nH]c2-c2ccccc2)C(C)C)cc1OC
InChIInChI=1S/C29H31FN4O5S/c1-17(2)34(29(36)26(39-5)19-11-12-20(37-3)21(15-19)38-4)16-24(35)31-28-25(18-9-7-6-8-10-18)32-27(33-28)22-13-14-23(30)40-22/h6-15,17,26H,16H2,1-5H3,(H,31,35)(H,32,33)
InChIKeyKYYCIEUGYFPMIW-UHFFFAOYSA-N
XLogP5.52
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.66
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(3,4-dimethoxyphenyl)-N-[2-[[2-(5-fluorothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]amino]-2-oxoethyl]-2-methoxy-N-propan-2-ylacetamide with MolForge

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Related Compounds

2-[[3-(4-fluorophenyl)-3-methoxyprop-1-en-2-yl]-propan-2-ylamino]-N-[2-(5-fluorothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]acetamide
CID 70300840
methyl 2-(3,4-dimethoxyphenyl)-3-[[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]-3-oxopropanoate
CID 69412695
3-(3,4-dimethoxyphenyl)-4-[[2-[(1,4-diphenylpyrazol-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoic acid
CID 24968046
N-[2-[[4-(5-chlorothiophen-2-yl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-yl-3-(2H-tetrazol-5-yl)propanamide
CID 69412427
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2,6-dimethoxy-N-propan-2-ylbenzamide
CID 1052092
N-(3,4-dimethoxyphenyl)-2-[[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide
CID 20852122
(2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide
CID 92514798
2-[cyclopropylmethyl(1-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 86876464
2-(3,4-dimethoxyphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 23649431
N-(2-fluoro-4,5-dimethoxyphenyl)-2-methoxy-2-phenylacetamide
CID 56782949
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92671858
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 43904621

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-[[2-(5-fluorothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]amino]-2-oxoethyl]-2-methoxy-N-propan-2-ylacetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-[[2-(5-fluorothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]amino]-2-oxoethyl]-2-methoxy-N-propan-2-ylacetamide (CID 24856119) is 2-(3,4-dimethoxyphenyl)-N-[2-[[2-(5-fluorothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]amino]-2-oxoethyl]-2-methoxy-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-[[2-(5-fluorothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]amino]-2-oxoethyl]-2-methoxy-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-[[2-(5-fluorothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]amino]-2-oxoethyl]-2-methoxy-N-propan-2-ylacetamide is COc1ccc(C(OC)C(=O)N(CC(=O)Nc2nc(-c3ccc(F)s3)[nH]c2-c2ccccc2)C(C)C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-[[2-(5-fluorothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]amino]-2-oxoethyl]-2-methoxy-N-propan-2-ylacetamide?
The InChIKey is KYYCIEUGYFPMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O5S/c1-17(2)34(29(36)26(39-5)19-11-12-20(37-3)21(15-19)38-4)16-24(35)31-28-25(18-9-7-6-8-10-18)32-27(33-28)22-13-14-23(30)40-22/h6-15,17,26H,16H2,1-5H3,(H,31,35)(H,32,33).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-[[2-(5-fluorothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]amino]-2-oxoethyl]-2-methoxy-N-propan-2-ylacetamide?
2-(3,4-dimethoxyphenyl)-N-[2-[[2-(5-fluorothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]amino]-2-oxoethyl]-2-methoxy-N-propan-2-ylacetamide has a molecular weight of 566.66 g/mol, XLogP of 5.52, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-[[2-(5-fluorothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]amino]-2-oxoethyl]-2-methoxy-N-propan-2-ylacetamide is sourced from PubChem (CID 24856119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).