N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide

C14H16ClF3N2O3S — CID 113136419

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CC1
InChIInChI=1S/C14H16ClF3N2O3S/c1-24(22,23)20(10-3-4-10)7-6-13(21)19-12-5-2-9(15)8-11(12)14(16,17)18/h2,5,8,10H,3-4,6-7H2,1H3,(H,19,21)
InChIKeyDTZWTTMKYLYLMX-UHFFFAOYSA-N
MW384.81 g/mol
LogP3.11
Rot. Bonds6

About N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide (PubChem CID 113136419) has the molecular formula C14H16ClF3N2O3S and a molecular weight of 384.81 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide
PubChem CID113136419
Molecular FormulaC14H16ClF3N2O3S
Molecular Weight384.81 g/mol
Exact Mass384.05
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CC1
InChIInChI=1S/C14H16ClF3N2O3S/c1-24(22,23)20(10-3-4-10)7-6-13(21)19-12-5-2-9(15)8-11(12)14(16,17)18/h2,5,8,10H,3-4,6-7H2,1H3,(H,19,21)
InChIKeyDTZWTTMKYLYLMX-UHFFFAOYSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.81
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136363
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136418
3-[cyclopropyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113136415
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide
CID 109033185
3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 109020666
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 92645790
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
CID 109036576
3-[acetyl(butyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 113115887
3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 113137508
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687206
3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 110294989
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 109017439

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide (CID 113136419) is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide is CS(=O)(=O)N(CCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CC1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide?
The InChIKey is DTZWTTMKYLYLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O3S/c1-24(22,23)20(10-3-4-10)7-6-13(21)19-12-5-2-9(15)8-11(12)14(16,17)18/h2,5,8,10H,3-4,6-7H2,1H3,(H,19,21).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide has a molecular weight of 384.81 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113136419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).