N-[3-[4-[(cyclopropylamino)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2-methylpropane-2-sulfonamide

C22H32N2O2S2 — CID 22259441

IUPACN-[3-[4-[(cyclopropylamino)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2-methylpropane-2-sulfonamide
SMILESCC(C)Cc1cc(-c2ccc(CNC3CC3)cc2)c(NS(=O)(=O)C(C)(C)C)s1
InChIInChI=1S/C22H32N2O2S2/c1-15(2)12-19-13-20(21(27-19)24-28(25,26)22(3,4)5)17-8-6-16(7-9-17)14-23-18-10-11-18/h6-9,13,15,18,23-24H,10-12,14H2,1-5H3
InChIKeyYWUYIXNFCKNESK-UHFFFAOYSA-N
MW420.64 g/mol
LogP5.41
Rot. Bonds8

About N-[3-[4-[(cyclopropylamino)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2-methylpropane-2-sulfonamide

N-[3-[4-[(cyclopropylamino)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2-methylpropane-2-sulfonamide (PubChem CID 22259441) has the molecular formula C22H32N2O2S2 and a molecular weight of 420.64 g/mol. Its IUPAC name is N-[3-[4-[(cyclopropylamino)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-[(cyclopropylamino)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2-methylpropane-2-sulfonamide
PubChem CID22259441
Molecular FormulaC22H32N2O2S2
Molecular Weight420.64 g/mol
Exact Mass420.19
IUPAC NameN-[3-[4-[(cyclopropylamino)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2-methylpropane-2-sulfonamide
SMILESCC(C)Cc1cc(-c2ccc(CNC3CC3)cc2)c(NS(=O)(=O)C(C)(C)C)s1
InChIInChI=1S/C22H32N2O2S2/c1-15(2)12-19-13-20(21(27-19)24-28(25,26)22(3,4)5)17-8-6-16(7-9-17)14-23-18-10-11-18/h6-9,13,15,18,23-24H,10-12,14H2,1-5H3
InChIKeyYWUYIXNFCKNESK-UHFFFAOYSA-N
XLogP5.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[4-[(cyclopropylamino)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2-methylpropane-2-sulfonamide 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

N-[[3-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]cyclopropanamine
CID 106888611
N-(tert-butylsulfamoyl)-4-[(cyclopropylamino)methyl]aniline
CID 106911133
N-[[4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine
CID 157123598
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide
CID 60823571
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide
CID 106029974
N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine
CID 71015787
N-[[4-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 66023284
4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 63958323
4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 102704471
N-[3-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-1-sulfonamide
CID 106911358
N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63807786

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(cyclopropylamino)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[3-[4-[(cyclopropylamino)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2-methylpropane-2-sulfonamide (CID 22259441) is N-[3-[4-[(cyclopropylamino)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[3-[4-[(cyclopropylamino)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[3-[4-[(cyclopropylamino)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2-methylpropane-2-sulfonamide is CC(C)Cc1cc(-c2ccc(CNC3CC3)cc2)c(NS(=O)(=O)C(C)(C)C)s1.
What is the InChIKey of N-[3-[4-[(cyclopropylamino)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is YWUYIXNFCKNESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2S2/c1-15(2)12-19-13-20(21(27-19)24-28(25,26)22(3,4)5)17-8-6-16(7-9-17)14-23-18-10-11-18/h6-9,13,15,18,23-24H,10-12,14H2,1-5H3.
What are the key properties of N-[3-[4-[(cyclopropylamino)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2-methylpropane-2-sulfonamide?
N-[3-[4-[(cyclopropylamino)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 420.64 g/mol, XLogP of 5.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(cyclopropylamino)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 22259441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).