5-(dimethylamino)-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-sulfonamide

C24H25N3O2S2 — CID 168950457

IUPAC5-(dimethylamino)-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-sulfonamide
SMILESCC(C)c1nc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)cs1
InChIInChI=1S/C24H25N3O2S2/c1-16(2)24-25-21(15-30-24)17-8-5-9-18(14-17)26-31(28,29)23-13-7-10-19-20(23)11-6-12-22(19)27(3)4/h5-16,26H,1-4H3
InChIKeyXGJOHFNFDKGJSA-UHFFFAOYSA-N
MW451.62 g/mol
LogP5.95
Rot. Bonds6

About 5-(dimethylamino)-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-sulfonamide

5-(dimethylamino)-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-sulfonamide (PubChem CID 168950457) has the molecular formula C24H25N3O2S2 and a molecular weight of 451.62 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-sulfonamide
PubChem CID168950457
Molecular FormulaC24H25N3O2S2
Molecular Weight451.62 g/mol
Exact Mass451.14
IUPAC Name5-(dimethylamino)-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-sulfonamide
SMILESCC(C)c1nc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)cs1
InChIInChI=1S/C24H25N3O2S2/c1-16(2)24-25-21(15-30-24)17-8-5-9-18(14-17)26-31(28,29)23-13-7-10-19-20(23)11-6-12-22(19)27(3)4/h5-16,26H,1-4H3
InChIKeyXGJOHFNFDKGJSA-UHFFFAOYSA-N
XLogP5.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.62
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(dimethylamino)-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]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-[4-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1,3-thiazol-2-yl]-2-(2-hydroxyethylamino)acetamide
CID 168950503
5-(dimethylamino)-N-[4-(thiadiazol-4-yl)phenyl]naphthalene-1-sulfonamide
CID 3271732
N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 22640535
N-methylsulfonyl-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 166003583
CID 57189636
CID 57189636
N-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 102078919
N-(4-bromo-3-fluorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 4658708
3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide
CID 31046759
5-(dimethylamino)-N-(4,6-dimethyl-2-pyridinyl)naphthalene-1-sulfonamide
CID 3795754
N-(6-chloro-3-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 11792960
N-(3-chloro-4-formylphenyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 142053492
4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid
CID 15839021

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-sulfonamide (CID 168950457) is 5-(dimethylamino)-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-sulfonamide is CC(C)c1nc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)cs1.
What is the InChIKey of 5-(dimethylamino)-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-sulfonamide?
The InChIKey is XGJOHFNFDKGJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S2/c1-16(2)24-25-21(15-30-24)17-8-5-9-18(14-17)26-31(28,29)23-13-7-10-19-20(23)11-6-12-22(19)27(3)4/h5-16,26H,1-4H3.
What are the key properties of 5-(dimethylamino)-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-sulfonamide?
5-(dimethylamino)-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-sulfonamide has a molecular weight of 451.62 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 168950457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).