4-[butylsulfonyl(methyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide

C17H26N2O4S — CID 15338757

IUPAC4-[butylsulfonyl(methyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide
SMILESCCCCS(=O)(=O)N(C)C1CC(C)(C)Oc2ccc(C(N)=O)cc21
InChIInChI=1S/C17H26N2O4S/c1-5-6-9-24(21,22)19(4)14-11-17(2,3)23-15-8-7-12(16(18)20)10-13(14)15/h7-8,10,14H,5-6,9,11H2,1-4H3,(H2,18,20)
InChIKeyULVVBLJFCIILPQ-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.45
Rot. Bonds6

About 4-[butylsulfonyl(methyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide

4-[butylsulfonyl(methyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide (PubChem CID 15338757) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-[butylsulfonyl(methyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide.

Molecular Properties

Compound Name4-[butylsulfonyl(methyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide
PubChem CID15338757
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name4-[butylsulfonyl(methyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide
SMILESCCCCS(=O)(=O)N(C)C1CC(C)(C)Oc2ccc(C(N)=O)cc21
InChIInChI=1S/C17H26N2O4S/c1-5-6-9-24(21,22)19(4)14-11-17(2,3)23-15-8-7-12(16(18)20)10-13(14)15/h7-8,10,14H,5-6,9,11H2,1-4H3,(H2,18,20)
InChIKeyULVVBLJFCIILPQ-UHFFFAOYSA-N
XLogP2.45
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[butylsulfonyl(methyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide 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 4-[butylsulfonyl(methyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide?
The IUPAC name of 4-[butylsulfonyl(methyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide (CID 15338757) is 4-[butylsulfonyl(methyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide.
What is the SMILES notation for 4-[butylsulfonyl(methyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide?
The canonical SMILES for 4-[butylsulfonyl(methyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide is CCCCS(=O)(=O)N(C)C1CC(C)(C)Oc2ccc(C(N)=O)cc21.
What is the InChIKey of 4-[butylsulfonyl(methyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide?
The InChIKey is ULVVBLJFCIILPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-5-6-9-24(21,22)19(4)14-11-17(2,3)23-15-8-7-12(16(18)20)10-13(14)15/h7-8,10,14H,5-6,9,11H2,1-4H3,(H2,18,20).
What are the key properties of 4-[butylsulfonyl(methyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide?
4-[butylsulfonyl(methyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butylsulfonyl(methyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide is sourced from PubChem (CID 15338757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).