3-(5-bromo-2-cyclopropylphenyl)-N-[4-cyclopropylsulfonyl-3-[(dimethylamino)methyl]phenyl]propanamide

C24H29BrN2O3S — CID 121298435

IUPAC3-(5-bromo-2-cyclopropylphenyl)-N-[4-cyclopropylsulfonyl-3-[(dimethylamino)methyl]phenyl]propanamide
SMILESCN(C)Cc1cc(NC(=O)CCc2cc(Br)ccc2C2CC2)ccc1S(=O)(=O)C1CC1
InChIInChI=1S/C24H29BrN2O3S/c1-27(2)15-18-14-20(7-11-23(18)31(29,30)21-8-9-21)26-24(28)12-5-17-13-19(25)6-10-22(17)16-3-4-16/h6-7,10-11,13-14,16,21H,3-5,8-9,12,15H2,1-2H3,(H,26,28)
InChIKeyOPXMQPFQOXQENO-UHFFFAOYSA-N
MW505.48 g/mol
LogP4.90
Rot. Bonds9

About 3-(5-bromo-2-cyclopropylphenyl)-N-[4-cyclopropylsulfonyl-3-[(dimethylamino)methyl]phenyl]propanamide

3-(5-bromo-2-cyclopropylphenyl)-N-[4-cyclopropylsulfonyl-3-[(dimethylamino)methyl]phenyl]propanamide (PubChem CID 121298435) has the molecular formula C24H29BrN2O3S and a molecular weight of 505.48 g/mol. Its IUPAC name is 3-(5-bromo-2-cyclopropylphenyl)-N-[4-cyclopropylsulfonyl-3-[(dimethylamino)methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(5-bromo-2-cyclopropylphenyl)-N-[4-cyclopropylsulfonyl-3-[(dimethylamino)methyl]phenyl]propanamide
PubChem CID121298435
Molecular FormulaC24H29BrN2O3S
Molecular Weight505.48 g/mol
Exact Mass504.11
IUPAC Name3-(5-bromo-2-cyclopropylphenyl)-N-[4-cyclopropylsulfonyl-3-[(dimethylamino)methyl]phenyl]propanamide
SMILESCN(C)Cc1cc(NC(=O)CCc2cc(Br)ccc2C2CC2)ccc1S(=O)(=O)C1CC1
InChIInChI=1S/C24H29BrN2O3S/c1-27(2)15-18-14-20(7-11-23(18)31(29,30)21-8-9-21)26-24(28)12-5-17-13-19(25)6-10-22(17)16-3-4-16/h6-7,10-11,13-14,16,21H,3-5,8-9,12,15H2,1-2H3,(H,26,28)
InChIKeyOPXMQPFQOXQENO-UHFFFAOYSA-N
XLogP4.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.48
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-bromo-2-cyclopropylphenyl)-N-[4-cyclopropylsulfonyl-3-[(dimethylamino)methyl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-cyclopropylphenyl)-N-[4-cyclopropylsulfonyl-3-[(dimethylamino)methyl]phenyl]propanamide?
The IUPAC name of 3-(5-bromo-2-cyclopropylphenyl)-N-[4-cyclopropylsulfonyl-3-[(dimethylamino)methyl]phenyl]propanamide (CID 121298435) is 3-(5-bromo-2-cyclopropylphenyl)-N-[4-cyclopropylsulfonyl-3-[(dimethylamino)methyl]phenyl]propanamide.
What is the SMILES notation for 3-(5-bromo-2-cyclopropylphenyl)-N-[4-cyclopropylsulfonyl-3-[(dimethylamino)methyl]phenyl]propanamide?
The canonical SMILES for 3-(5-bromo-2-cyclopropylphenyl)-N-[4-cyclopropylsulfonyl-3-[(dimethylamino)methyl]phenyl]propanamide is CN(C)Cc1cc(NC(=O)CCc2cc(Br)ccc2C2CC2)ccc1S(=O)(=O)C1CC1.
What is the InChIKey of 3-(5-bromo-2-cyclopropylphenyl)-N-[4-cyclopropylsulfonyl-3-[(dimethylamino)methyl]phenyl]propanamide?
The InChIKey is OPXMQPFQOXQENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN2O3S/c1-27(2)15-18-14-20(7-11-23(18)31(29,30)21-8-9-21)26-24(28)12-5-17-13-19(25)6-10-22(17)16-3-4-16/h6-7,10-11,13-14,16,21H,3-5,8-9,12,15H2,1-2H3,(H,26,28).
What are the key properties of 3-(5-bromo-2-cyclopropylphenyl)-N-[4-cyclopropylsulfonyl-3-[(dimethylamino)methyl]phenyl]propanamide?
3-(5-bromo-2-cyclopropylphenyl)-N-[4-cyclopropylsulfonyl-3-[(dimethylamino)methyl]phenyl]propanamide has a molecular weight of 505.48 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-cyclopropylphenyl)-N-[4-cyclopropylsulfonyl-3-[(dimethylamino)methyl]phenyl]propanamide is sourced from PubChem (CID 121298435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).