N-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C20H27N3O2S — CID 113030339

IUPACN-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCC(C)CCNc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)nc1
InChIInChI=1S/C20H27N3O2S/c1-15(2)11-12-21-18-8-10-20(22-14-18)23-26(24,25)19-9-7-16-5-3-4-6-17(16)13-19/h7-10,13-15,21H,3-6,11-12H2,1-2H3,(H,22,23)
InChIKeyPHCRZPBCXWTXCE-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.22
Rot. Bonds7

About N-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 113030339) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID113030339
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCC(C)CCNc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)nc1
InChIInChI=1S/C20H27N3O2S/c1-15(2)11-12-21-18-8-10-20(22-14-18)23-26(24,25)19-9-7-16-5-3-4-6-17(16)13-19/h7-10,13-15,21H,3-6,11-12H2,1-2H3,(H,22,23)
InChIKeyPHCRZPBCXWTXCE-UHFFFAOYSA-N
XLogP4.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-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

4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030332
N-[6-(butylamino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113009531
4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030370
N-[5-(cyclopentylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113024520
N-[6-(benzylamino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113011505
5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030356
N-[4-[[6-(3-methylbutylamino)-3-pyridinyl]sulfamoyl]phenyl]acetamide
CID 113015172
N-[6-(2-fluoroanilino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113018263
N-[6-(butan-2-ylamino)pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113038643
N-[5-(propylamino)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113023518
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113024892
4-ethyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide
CID 113023639

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 113030339) is N-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CC(C)CCNc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)nc1.
What is the InChIKey of N-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is PHCRZPBCXWTXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-15(2)11-12-21-18-8-10-20(22-14-18)23-26(24,25)19-9-7-16-5-3-4-6-17(16)13-19/h7-10,13-15,21H,3-6,11-12H2,1-2H3,(H,22,23).
What are the key properties of N-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 373.52 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 113030339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).