4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide

C18H16F2N2O2S — CID 26908479

IUPAC4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H16F2N2O2S/c19-18(20)25-15-9-7-14(8-10-15)22-17(24)12-3-5-13(6-4-12)21-16(23)11-1-2-11/h3-11,18H,1-2H2,(H,21,23)(H,22,24)
InChIKeyJGLKGTUTRYHNOL-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.60
Rot. Bonds6

About 4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide

4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide (PubChem CID 26908479) has the molecular formula C18H16F2N2O2S and a molecular weight of 362.40 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
PubChem CID26908479
Molecular FormulaC18H16F2N2O2S
Molecular Weight362.40 g/mol
Exact Mass362.09
IUPAC Name4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H16F2N2O2S/c19-18(20)25-15-9-7-14(8-10-15)22-17(24)12-3-5-13(6-4-12)21-16(23)11-1-2-11/h3-11,18H,1-2H2,(H,21,23)(H,22,24)
InChIKeyJGLKGTUTRYHNOL-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide
CID 79511673
N-[4-(cyclopropylcarbamoylamino)phenyl]-4-(difluoromethylsulfanyl)benzamide
CID 55531977
N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide
CID 2567810
N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide
CID 110778678
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884
4-(cyclopropanecarbonylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 26288890
N-[4-(difluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 43698982
(2R)-N-[4-(difluoromethylsulfanyl)phenyl]oxolane-2-carboxamide
CID 8701259
(2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615898
3-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119668988
4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166430
(2R)-1-N,2-N-bis[4-(difluoromethylsulfanyl)phenyl]-3-methylidenecyclopropane-1,2-dicarboxamide
CID 42917162

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide (CID 26908479) is 4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide is O=C(Nc1ccc(SC(F)F)cc1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide?
The InChIKey is JGLKGTUTRYHNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2S/c19-18(20)25-15-9-7-14(8-10-15)22-17(24)12-3-5-13(6-4-12)21-16(23)11-1-2-11/h3-11,18H,1-2H2,(H,21,23)(H,22,24).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide?
4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide has a molecular weight of 362.40 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 26908479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).