2-[4-[(cyclopentylamino)methyl]phenyl]-N-methyl-N-propan-2-ylbenzenesulfonamide

C22H30N2O2S — CID 44600308

IUPAC2-[4-[(cyclopentylamino)methyl]phenyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccccc1-c1ccc(CNC2CCCC2)cc1
InChIInChI=1S/C22H30N2O2S/c1-17(2)24(3)27(25,26)22-11-7-6-10-21(22)19-14-12-18(13-15-19)16-23-20-8-4-5-9-20/h6-7,10-15,17,20,23H,4-5,8-9,16H2,1-3H3
InChIKeyJONWOTUZASTVKJ-UHFFFAOYSA-N
MW386.56 g/mol
LogP4.41
Rot. Bonds7

About 2-[4-[(cyclopentylamino)methyl]phenyl]-N-methyl-N-propan-2-ylbenzenesulfonamide

2-[4-[(cyclopentylamino)methyl]phenyl]-N-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 44600308) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 2-[4-[(cyclopentylamino)methyl]phenyl]-N-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-[4-[(cyclopentylamino)methyl]phenyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID44600308
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name2-[4-[(cyclopentylamino)methyl]phenyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccccc1-c1ccc(CNC2CCCC2)cc1
InChIInChI=1S/C22H30N2O2S/c1-17(2)24(3)27(25,26)22-11-7-6-10-21(22)19-14-12-18(13-15-19)16-23-20-8-4-5-9-20/h6-7,10-15,17,20,23H,4-5,8-9,16H2,1-3H3
InChIKeyJONWOTUZASTVKJ-UHFFFAOYSA-N
XLogP4.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopentylamino)methyl]phenyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-[4-[(cyclopentylamino)methyl]phenyl]-N-methyl-N-propan-2-ylbenzenesulfonamide (CID 44600308) is 2-[4-[(cyclopentylamino)methyl]phenyl]-N-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-[4-[(cyclopentylamino)methyl]phenyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-[4-[(cyclopentylamino)methyl]phenyl]-N-methyl-N-propan-2-ylbenzenesulfonamide is CC(C)N(C)S(=O)(=O)c1ccccc1-c1ccc(CNC2CCCC2)cc1.
What is the InChIKey of 2-[4-[(cyclopentylamino)methyl]phenyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is JONWOTUZASTVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-17(2)24(3)27(25,26)22-11-7-6-10-21(22)19-14-12-18(13-15-19)16-23-20-8-4-5-9-20/h6-7,10-15,17,20,23H,4-5,8-9,16H2,1-3H3.
What are the key properties of 2-[4-[(cyclopentylamino)methyl]phenyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
2-[4-[(cyclopentylamino)methyl]phenyl]-N-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 386.56 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclopentylamino)methyl]phenyl]-N-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 44600308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).