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

C18H17F2N3O2S — CID 55531977

IUPACN-[4-(cyclopropylcarbamoylamino)phenyl]-4-(difluoromethylsulfanyl)benzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc(SC(F)F)cc2)cc1)NC1CC1
InChIInChI=1S/C18H17F2N3O2S/c19-17(20)26-15-9-1-11(2-10-15)16(24)21-12-3-5-13(6-4-12)22-18(25)23-14-7-8-14/h1-6,9-10,14,17H,7-8H2,(H,21,24)(H2,22,23,25)
InChIKeyGQDACDCJINHLET-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.54
Rot. Bonds6

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

N-[4-(cyclopropylcarbamoylamino)phenyl]-4-(difluoromethylsulfanyl)benzamide (PubChem CID 55531977) has the molecular formula C18H17F2N3O2S and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoylamino)phenyl]-4-(difluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoylamino)phenyl]-4-(difluoromethylsulfanyl)benzamide
PubChem CID55531977
Molecular FormulaC18H17F2N3O2S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC NameN-[4-(cyclopropylcarbamoylamino)phenyl]-4-(difluoromethylsulfanyl)benzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc(SC(F)F)cc2)cc1)NC1CC1
InChIInChI=1S/C18H17F2N3O2S/c19-17(20)26-15-9-1-11(2-10-15)16(24)21-12-3-5-13(6-4-12)22-18(25)23-14-7-8-14/h1-6,9-10,14,17H,7-8H2,(H,21,24)(H2,22,23,25)
InChIKeyGQDACDCJINHLET-UHFFFAOYSA-N
XLogP4.54
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 26908479
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide
CID 2567810
N-cyclopropyl-2-[[4-(difluoromethylsulfanyl)benzoyl]amino]benzamide
CID 42030004
N-[4-(cyclopropylcarbamoylamino)phenyl]-3,5-difluorobenzamide
CID 52559092
1-cyclopentyl-3-[4-(difluoromethylsulfanyl)phenyl]thiourea
CID 2373414
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide
CID 39899500
4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 18206147
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide
CID 24617722
4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide
CID 39890660

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-4-(difluoromethylsulfanyl)benzamide?
The IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-4-(difluoromethylsulfanyl)benzamide (CID 55531977) is N-[4-(cyclopropylcarbamoylamino)phenyl]-4-(difluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoylamino)phenyl]-4-(difluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoylamino)phenyl]-4-(difluoromethylsulfanyl)benzamide is O=C(Nc1ccc(NC(=O)c2ccc(SC(F)F)cc2)cc1)NC1CC1.
What is the InChIKey of N-[4-(cyclopropylcarbamoylamino)phenyl]-4-(difluoromethylsulfanyl)benzamide?
The InChIKey is GQDACDCJINHLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2S/c19-17(20)26-15-9-1-11(2-10-15)16(24)21-12-3-5-13(6-4-12)22-18(25)23-14-7-8-14/h1-6,9-10,14,17H,7-8H2,(H,21,24)(H2,22,23,25).
What are the key properties of N-[4-(cyclopropylcarbamoylamino)phenyl]-4-(difluoromethylsulfanyl)benzamide?
N-[4-(cyclopropylcarbamoylamino)phenyl]-4-(difluoromethylsulfanyl)benzamide has a molecular weight of 377.42 g/mol, XLogP of 4.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoylamino)phenyl]-4-(difluoromethylsulfanyl)benzamide is sourced from PubChem (CID 55531977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).