N-[(2,2-dimethylchromen-6-yl)methyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide

C26H29NO3S — CID 53483998

IUPACN-[(2,2-dimethylchromen-6-yl)methyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide
SMILESCC(C)CN(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C26H29NO3S/c1-19(2)17-27(18-20-12-13-24-22(16-20)14-15-26(3,4)30-24)31(28,29)25-11-7-9-21-8-5-6-10-23(21)25/h5-16,19H,17-18H2,1-4H3
InChIKeyZQVXDXKWSCKGBK-UHFFFAOYSA-N
MW435.59 g/mol
LogP5.87
Rot. Bonds6

About N-[(2,2-dimethylchromen-6-yl)methyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide

N-[(2,2-dimethylchromen-6-yl)methyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide (PubChem CID 53483998) has the molecular formula C26H29NO3S and a molecular weight of 435.59 g/mol. Its IUPAC name is N-[(2,2-dimethylchromen-6-yl)methyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethylchromen-6-yl)methyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide
PubChem CID53483998
Molecular FormulaC26H29NO3S
Molecular Weight435.59 g/mol
Exact Mass435.19
IUPAC NameN-[(2,2-dimethylchromen-6-yl)methyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide
SMILESCC(C)CN(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C26H29NO3S/c1-19(2)17-27(18-20-12-13-24-22(16-20)14-15-26(3,4)30-24)31(28,29)25-11-7-9-21-8-5-6-10-23(21)25/h5-16,19H,17-18H2,1-4H3
InChIKeyZQVXDXKWSCKGBK-UHFFFAOYSA-N
XLogP5.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.59
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2,2-dimethylchromen-6-yl)methyl]-N-(2-methylpropyl)naphthalene-1-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-[(2,2-dimethylchromen-6-yl)methyl]-3,5-dimethyl-N-phenylbenzenesulfonamide
CID 53472867
N-ethyl-N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide
CID 10365873
N-(2-aminoethyl)-2,2-dimethyl-N-[(4-phenoxyphenyl)methyl]-3,4-dihydrochromene-6-sulfonamide
CID 118709709
N-[(2,2-dimethylchromen-6-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 70688533
N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-propan-2-ylbenzenesulfonamide
CID 70696815
4-(2-{[(2-Ethoxy-1-naphthyl)methyl]amino}ethyl)benzenesulfonamide
CID 2979068
N-cyclobutyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-difluorobenzenesulfonamide
CID 137643362
N-[(2,2-dimethylchromen-6-yl)methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 56658578
N-benzyl-N-[(2,2-dimethylchromen-6-yl)methyl]naphthalene-1-sulfonamide
CID 56662200
N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylnaphthalene-1-sulfonamide
CID 56669105
N-cyclohexyl-N-[(2,2-dimethylchromen-6-yl)methyl]naphthalene-1-sulfonamide
CID 56682566
1-Benzyl-4-[(4-ethoxynaphthalen-1-yl)sulfonyl]piperazine
CID 1075090

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide?
The IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide (CID 53483998) is N-[(2,2-dimethylchromen-6-yl)methyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(2,2-dimethylchromen-6-yl)methyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-[(2,2-dimethylchromen-6-yl)methyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide is CC(C)CN(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-[(2,2-dimethylchromen-6-yl)methyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide?
The InChIKey is ZQVXDXKWSCKGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3S/c1-19(2)17-27(18-20-12-13-24-22(16-20)14-15-26(3,4)30-24)31(28,29)25-11-7-9-21-8-5-6-10-23(21)25/h5-16,19H,17-18H2,1-4H3.
What are the key properties of N-[(2,2-dimethylchromen-6-yl)methyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide?
N-[(2,2-dimethylchromen-6-yl)methyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide has a molecular weight of 435.59 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylchromen-6-yl)methyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 53483998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).