2-(2-chlorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide

C20H18ClN3OS — CID 55497102

IUPAC2-(2-chlorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide
SMILESCn1ccnc1Sc1ccc(NC(=O)C2CC2c2ccccc2Cl)cc1
InChIInChI=1S/C20H18ClN3OS/c1-24-11-10-22-20(24)26-14-8-6-13(7-9-14)23-19(25)17-12-16(17)15-4-2-3-5-18(15)21/h2-11,16-17H,12H2,1H3,(H,23,25)
InChIKeyWQGRRHAVDDTEIB-UHFFFAOYSA-N
MW383.90 g/mol
LogP4.97
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide (PubChem CID 55497102) has the molecular formula C20H18ClN3OS and a molecular weight of 383.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide
PubChem CID55497102
Molecular FormulaC20H18ClN3OS
Molecular Weight383.90 g/mol
Exact Mass383.09
IUPAC Name2-(2-chlorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide
SMILESCn1ccnc1Sc1ccc(NC(=O)C2CC2c2ccccc2Cl)cc1
InChIInChI=1S/C20H18ClN3OS/c1-24-11-10-22-20(24)26-14-8-6-13(7-9-14)23-19(25)17-12-16(17)15-4-2-3-5-18(15)21/h2-11,16-17H,12H2,1H3,(H,23,25)
InChIKeyWQGRRHAVDDTEIB-UHFFFAOYSA-N
XLogP4.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide (CID 55497102) is 2-(2-chlorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide is Cn1ccnc1Sc1ccc(NC(=O)C2CC2c2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide?
The InChIKey is WQGRRHAVDDTEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3OS/c1-24-11-10-22-20(24)26-14-8-6-13(7-9-14)23-19(25)17-12-16(17)15-4-2-3-5-18(15)21/h2-11,16-17H,12H2,1H3,(H,23,25).
What are the key properties of 2-(2-chlorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide has a molecular weight of 383.90 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55497102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).