N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[2,6-di(propan-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acetamide

C33H42N2O3S — CID 166008175

IUPACN-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[2,6-di(propan-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acetamide
SMILESCC(C)c1cc(-c2ccc3c(c2)CCCC3)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1ccc(CN(C)C)cc1
InChIInChI=1S/C33H42N2O3S/c1-22(2)30-18-28(27-14-13-25-9-7-8-10-26(25)17-27)19-31(23(3)4)32(30)20-33(36)34-39(37,38)29-15-11-24(12-16-29)21-35(5)6/h11-19,22-23H,7-10,20-21H2,1-6H3,(H,34,36)
InChIKeyRWZBFLNBSZJCRD-UHFFFAOYSA-N
MW546.78 g/mol
LogP6.59
Rot. Bonds9

About N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[2,6-di(propan-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acetamide

N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[2,6-di(propan-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acetamide (PubChem CID 166008175) has the molecular formula C33H42N2O3S and a molecular weight of 546.78 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[2,6-di(propan-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[2,6-di(propan-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acetamide
PubChem CID166008175
Molecular FormulaC33H42N2O3S
Molecular Weight546.78 g/mol
Exact Mass546.29
IUPAC NameN-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[2,6-di(propan-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acetamide
SMILESCC(C)c1cc(-c2ccc3c(c2)CCCC3)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1ccc(CN(C)C)cc1
InChIInChI=1S/C33H42N2O3S/c1-22(2)30-18-28(27-14-13-25-9-7-8-10-26(25)17-27)19-31(23(3)4)32(30)20-33(36)34-39(37,38)29-15-11-24(12-16-29)21-35(5)6/h11-19,22-23H,7-10,20-21H2,1-6H3,(H,34,36)
InChIKeyRWZBFLNBSZJCRD-UHFFFAOYSA-N
XLogP6.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.78
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[2,6-di(propan-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acetamide 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 N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[2,6-di(propan-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[2,6-di(propan-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acetamide (CID 166008175) is N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[2,6-di(propan-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[2,6-di(propan-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[2,6-di(propan-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acetamide is CC(C)c1cc(-c2ccc3c(c2)CCCC3)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1ccc(CN(C)C)cc1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[2,6-di(propan-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acetamide?
The InChIKey is RWZBFLNBSZJCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N2O3S/c1-22(2)30-18-28(27-14-13-25-9-7-8-10-26(25)17-27)19-31(23(3)4)32(30)20-33(36)34-39(37,38)29-15-11-24(12-16-29)21-35(5)6/h11-19,22-23H,7-10,20-21H2,1-6H3,(H,34,36).
What are the key properties of N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[2,6-di(propan-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acetamide?
N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[2,6-di(propan-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acetamide has a molecular weight of 546.78 g/mol, XLogP of 6.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[2,6-di(propan-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acetamide is sourced from PubChem (CID 166008175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).