N-[(4-tert-butylphenyl)methyl]-1-[3-fluoro-4-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide

C22H27FN2O3S — CID 57401678

IUPACN-[(4-tert-butylphenyl)methyl]-1-[3-fluoro-4-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)(C)c1ccc(CNC(=O)C2(c3ccc(NS(C)(=O)=O)c(F)c3)CC2)cc1
InChIInChI=1S/C22H27FN2O3S/c1-21(2,3)16-7-5-15(6-8-16)14-24-20(26)22(11-12-22)17-9-10-19(18(23)13-17)25-29(4,27)28/h5-10,13,25H,11-12,14H2,1-4H3,(H,24,26)
InChIKeyJVJNSBIIKNKLBL-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.84
Rot. Bonds6

About N-[(4-tert-butylphenyl)methyl]-1-[3-fluoro-4-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide

N-[(4-tert-butylphenyl)methyl]-1-[3-fluoro-4-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide (PubChem CID 57401678) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-1-[3-fluoro-4-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-1-[3-fluoro-4-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide
PubChem CID57401678
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC NameN-[(4-tert-butylphenyl)methyl]-1-[3-fluoro-4-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)(C)c1ccc(CNC(=O)C2(c3ccc(NS(C)(=O)=O)c(F)c3)CC2)cc1
InChIInChI=1S/C22H27FN2O3S/c1-21(2,3)16-7-5-15(6-8-16)14-24-20(26)22(11-12-22)17-9-10-19(18(23)13-17)25-29(4,27)28/h5-10,13,25H,11-12,14H2,1-4H3,(H,24,26)
InChIKeyJVJNSBIIKNKLBL-UHFFFAOYSA-N
XLogP3.84
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4-tert-butylphenyl)methyl]-1-[3-fluoro-4-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide 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

1-[(4-tert-butylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]urea
CID 11625640
3-(4-tert-butylphenyl)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]propanamide
CID 44574354
2-(4-tert-butylphenyl)sulfanyl-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
CID 69383229
1-[4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 53110671
1-(4-tert-butylphenyl)-N-[(3-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide
CID 32566657
2-[(4-tert-butylphenyl)methyl]-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]butanethioamide
CID 11856129
2-[4-tert-butyl-2-(trifluoromethyl)phenoxy]-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
CID 69404959
1-[4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 53110672
1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438018
1-[(4-tert-butylphenyl)methyl]-3-[[2-(methanesulfonamido)phenyl]methyl]thiourea
CID 59088037
bis(8-tert-butyl-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide);8-tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 157201520
N-[(4-tert-butylphenyl)methyl]-2-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide
CID 11384576

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-1-[3-fluoro-4-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-1-[3-fluoro-4-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide (CID 57401678) is N-[(4-tert-butylphenyl)methyl]-1-[3-fluoro-4-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-1-[3-fluoro-4-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-1-[3-fluoro-4-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide is CC(C)(C)c1ccc(CNC(=O)C2(c3ccc(NS(C)(=O)=O)c(F)c3)CC2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-1-[3-fluoro-4-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide?
The InChIKey is JVJNSBIIKNKLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c1-21(2,3)16-7-5-15(6-8-16)14-24-20(26)22(11-12-22)17-9-10-19(18(23)13-17)25-29(4,27)28/h5-10,13,25H,11-12,14H2,1-4H3,(H,24,26).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-1-[3-fluoro-4-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide?
N-[(4-tert-butylphenyl)methyl]-1-[3-fluoro-4-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide has a molecular weight of 418.53 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-1-[3-fluoro-4-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 57401678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).