2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-4-ethyl-N-(2-methoxyphenyl)-5-methylthiophene-3-carboxamide

C25H25ClN2O3S — CID 28720118

IUPAC2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-4-ethyl-N-(2-methoxyphenyl)-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)c1C(=O)Nc1ccccc1OC
InChIInChI=1S/C25H25ClN2O3S/c1-4-17-14(2)32-25(22(17)24(30)27-20-7-5-6-8-21(20)31-3)28-23(29)19-13-18(19)15-9-11-16(26)12-10-15/h5-12,18-19H,4,13H2,1-3H3,(H,27,30)(H,28,29)/t18-,19-/m1/s1
InChIKeySYKWJGZGAQPQGL-RTBURBONSA-N
MW469.01 g/mol
LogP6.28
Rot. Bonds7

About 2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-4-ethyl-N-(2-methoxyphenyl)-5-methylthiophene-3-carboxamide

2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-4-ethyl-N-(2-methoxyphenyl)-5-methylthiophene-3-carboxamide (PubChem CID 28720118) has the molecular formula C25H25ClN2O3S and a molecular weight of 469.01 g/mol. Its IUPAC name is 2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-4-ethyl-N-(2-methoxyphenyl)-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-4-ethyl-N-(2-methoxyphenyl)-5-methylthiophene-3-carboxamide
PubChem CID28720118
Molecular FormulaC25H25ClN2O3S
Molecular Weight469.01 g/mol
Exact Mass468.13
IUPAC Name2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-4-ethyl-N-(2-methoxyphenyl)-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)c1C(=O)Nc1ccccc1OC
InChIInChI=1S/C25H25ClN2O3S/c1-4-17-14(2)32-25(22(17)24(30)27-20-7-5-6-8-21(20)31-3)28-23(29)19-13-18(19)15-9-11-16(26)12-10-15/h5-12,18-19H,4,13H2,1-3H3,(H,27,30)(H,28,29)/t18-,19-/m1/s1
InChIKeySYKWJGZGAQPQGL-RTBURBONSA-N
XLogP6.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.01
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-4-ethyl-N-(2-methoxyphenyl)-5-methylthiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-ethyl-3-[(2-methoxyphenyl)carbamoyl]-5-methylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 17377236
4-ethyl-5-methyl-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide
CID 898789
2-[[3-[(4-chlorophenyl)carbamoyl]-4-ethyl-5-methylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 17377477
ethyl 15-[[(1S,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-14-thiabicyclo[11.3.0]hexadeca-1(13),15-diene-16-carboxylate
CID 40737756
(1R,6R)-6-[[4-ethyl-5-methyl-3-(phenylcarbamoyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 27524746
ethyl 2-(cyclopropanecarbonylamino)-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1092221
cis-(1S,2R)-N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 868729
N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 3698096
cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 32611358
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
1-N-(3,5-dichlorophenyl)-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143352
N-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84569153

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-4-ethyl-N-(2-methoxyphenyl)-5-methylthiophene-3-carboxamide?
The IUPAC name of 2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-4-ethyl-N-(2-methoxyphenyl)-5-methylthiophene-3-carboxamide (CID 28720118) is 2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-4-ethyl-N-(2-methoxyphenyl)-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-4-ethyl-N-(2-methoxyphenyl)-5-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-4-ethyl-N-(2-methoxyphenyl)-5-methylthiophene-3-carboxamide is CCc1c(C)sc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)c1C(=O)Nc1ccccc1OC.
What is the InChIKey of 2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-4-ethyl-N-(2-methoxyphenyl)-5-methylthiophene-3-carboxamide?
The InChIKey is SYKWJGZGAQPQGL-RTBURBONSA-N. The full InChI is InChI=1S/C25H25ClN2O3S/c1-4-17-14(2)32-25(22(17)24(30)27-20-7-5-6-8-21(20)31-3)28-23(29)19-13-18(19)15-9-11-16(26)12-10-15/h5-12,18-19H,4,13H2,1-3H3,(H,27,30)(H,28,29)/t18-,19-/m1/s1.
What are the key properties of 2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-4-ethyl-N-(2-methoxyphenyl)-5-methylthiophene-3-carboxamide?
2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-4-ethyl-N-(2-methoxyphenyl)-5-methylthiophene-3-carboxamide has a molecular weight of 469.01 g/mol, XLogP of 6.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-4-ethyl-N-(2-methoxyphenyl)-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 28720118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).