2-[benzyl(propan-2-yl)amino]-1-[4-(cyclopropylsulfamoylamino)phenyl]ethanone

C21H27N3O3S — CID 21416973

IUPAC2-[benzyl(propan-2-yl)amino]-1-[4-(cyclopropylsulfamoylamino)phenyl]ethanone
SMILESCC(C)N(CC(=O)c1ccc(NS(=O)(=O)NC2CC2)cc1)Cc1ccccc1
InChIInChI=1S/C21H27N3O3S/c1-16(2)24(14-17-6-4-3-5-7-17)15-21(25)18-8-10-19(11-9-18)22-28(26,27)23-20-12-13-20/h3-11,16,20,22-23H,12-15H2,1-2H3
InChIKeyARRIICMHRPRJMD-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.19
Rot. Bonds10

About 2-[benzyl(propan-2-yl)amino]-1-[4-(cyclopropylsulfamoylamino)phenyl]ethanone

2-[benzyl(propan-2-yl)amino]-1-[4-(cyclopropylsulfamoylamino)phenyl]ethanone (PubChem CID 21416973) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-1-[4-(cyclopropylsulfamoylamino)phenyl]ethanone.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-1-[4-(cyclopropylsulfamoylamino)phenyl]ethanone
PubChem CID21416973
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name2-[benzyl(propan-2-yl)amino]-1-[4-(cyclopropylsulfamoylamino)phenyl]ethanone
SMILESCC(C)N(CC(=O)c1ccc(NS(=O)(=O)NC2CC2)cc1)Cc1ccccc1
InChIInChI=1S/C21H27N3O3S/c1-16(2)24(14-17-6-4-3-5-7-17)15-21(25)18-8-10-19(11-9-18)22-28(26,27)23-20-12-13-20/h3-11,16,20,22-23H,12-15H2,1-2H3
InChIKeyARRIICMHRPRJMD-UHFFFAOYSA-N
XLogP3.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide
CID 55437170
N-(cyclopropylsulfamoyl)-4-(ethylaminomethyl)aniline
CID 106911273
N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide
CID 38253884
2-[4-(cyclopropylsulfamoylamino)phenyl]ethanol
CID 114809379
2-[benzyl(propan-2-yl)amino]-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82260672
2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 60505073
2-[benzyl(propan-2-yl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 109005704
N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide
CID 109031834
4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide
CID 55511124
(2S,3S)-1-(cyclopropylamino)-3-(dibenzylamino)-4-methylpentan-2-ol
CID 59051627
1-[4-[benzyl(propan-2-yl)amino]phenyl]-3-cyclopropylurea
CID 112985056
2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide
CID 24582092

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]-1-[4-(cyclopropylsulfamoylamino)phenyl]ethanone?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-1-[4-(cyclopropylsulfamoylamino)phenyl]ethanone (CID 21416973) is 2-[benzyl(propan-2-yl)amino]-1-[4-(cyclopropylsulfamoylamino)phenyl]ethanone.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-1-[4-(cyclopropylsulfamoylamino)phenyl]ethanone?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-1-[4-(cyclopropylsulfamoylamino)phenyl]ethanone is CC(C)N(CC(=O)c1ccc(NS(=O)(=O)NC2CC2)cc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-1-[4-(cyclopropylsulfamoylamino)phenyl]ethanone?
The InChIKey is ARRIICMHRPRJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-16(2)24(14-17-6-4-3-5-7-17)15-21(25)18-8-10-19(11-9-18)22-28(26,27)23-20-12-13-20/h3-11,16,20,22-23H,12-15H2,1-2H3.
What are the key properties of 2-[benzyl(propan-2-yl)amino]-1-[4-(cyclopropylsulfamoylamino)phenyl]ethanone?
2-[benzyl(propan-2-yl)amino]-1-[4-(cyclopropylsulfamoylamino)phenyl]ethanone has a molecular weight of 401.53 g/mol, XLogP of 3.19, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-1-[4-(cyclopropylsulfamoylamino)phenyl]ethanone is sourced from PubChem (CID 21416973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).