N-cyclopropyl-2-[[4-(difluoromethylsulfanyl)benzoyl]amino]benzamide

C18H16F2N2O2S — CID 42030004

IUPACN-cyclopropyl-2-[[4-(difluoromethylsulfanyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C18H16F2N2O2S/c19-18(20)25-13-9-5-11(6-10-13)16(23)22-15-4-2-1-3-14(15)17(24)21-12-7-8-12/h1-6,9-10,12,18H,7-8H2,(H,21,24)(H,22,23)
InChIKeyRJHGBHIDVOTJBI-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.15
Rot. Bonds6

About N-cyclopropyl-2-[[4-(difluoromethylsulfanyl)benzoyl]amino]benzamide

N-cyclopropyl-2-[[4-(difluoromethylsulfanyl)benzoyl]amino]benzamide (PubChem CID 42030004) has the molecular formula C18H16F2N2O2S and a molecular weight of 362.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[[4-(difluoromethylsulfanyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[4-(difluoromethylsulfanyl)benzoyl]amino]benzamide
PubChem CID42030004
Molecular FormulaC18H16F2N2O2S
Molecular Weight362.40 g/mol
Exact Mass362.09
IUPAC NameN-cyclopropyl-2-[[4-(difluoromethylsulfanyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C18H16F2N2O2S/c19-18(20)25-13-9-5-11(6-10-13)16(23)22-15-4-2-1-3-14(15)17(24)21-12-7-8-12/h1-6,9-10,12,18H,7-8H2,(H,21,24)(H,22,23)
InChIKeyRJHGBHIDVOTJBI-UHFFFAOYSA-N
XLogP4.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-2-[[4-(difluoromethylsulfanyl)benzoyl]amino]benzamide 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

N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
2-[(4-bromobenzoyl)amino]-N-cyclopropylbenzamide
CID 7729400
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 17434299
N-[4-(cyclopropylcarbamoylamino)phenyl]-4-(difluoromethylsulfanyl)benzamide
CID 55531977
2-benzamido-N-piperidin-4-ylbenzamide
CID 119388442
N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide
CID 29353062
methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178227
2-[[4-(benzenesulfonamido)benzoyl]amino]-N-cyclopropylbenzamide
CID 34281161
N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 26905962
N-[2-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 6460363
4-(difluoromethylsulfanyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829508
2-chloro-N'-[4-(difluoromethylsulfanyl)benzoyl]benzohydrazide
CID 35930248

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[4-(difluoromethylsulfanyl)benzoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[4-(difluoromethylsulfanyl)benzoyl]amino]benzamide (CID 42030004) is N-cyclopropyl-2-[[4-(difluoromethylsulfanyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[4-(difluoromethylsulfanyl)benzoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[4-(difluoromethylsulfanyl)benzoyl]amino]benzamide is O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(SC(F)F)cc1.
What is the InChIKey of N-cyclopropyl-2-[[4-(difluoromethylsulfanyl)benzoyl]amino]benzamide?
The InChIKey is RJHGBHIDVOTJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2S/c19-18(20)25-13-9-5-11(6-10-13)16(23)22-15-4-2-1-3-14(15)17(24)21-12-7-8-12/h1-6,9-10,12,18H,7-8H2,(H,21,24)(H,22,23).
What are the key properties of N-cyclopropyl-2-[[4-(difluoromethylsulfanyl)benzoyl]amino]benzamide?
N-cyclopropyl-2-[[4-(difluoromethylsulfanyl)benzoyl]amino]benzamide has a molecular weight of 362.40 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[4-(difluoromethylsulfanyl)benzoyl]amino]benzamide is sourced from PubChem (CID 42030004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).