N-butan-2-yl-2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]benzamide

C22H28N2O4S — CID 132664998

IUPACN-butan-2-yl-2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2
InChIInChI=1S/C22H28N2O4S/c1-5-15(2)23-21(25)18-8-6-7-9-19(18)24-29(26,27)17-10-11-20-16(14-17)12-13-22(3,4)28-20/h6-11,14-15,24H,5,12-13H2,1-4H3,(H,23,25)
InChIKeyFDNMVGCOFGRKGU-UHFFFAOYSA-N
MW416.54 g/mol
LogP4.12
Rot. Bonds6

About N-butan-2-yl-2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]benzamide

N-butan-2-yl-2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]benzamide (PubChem CID 132664998) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-butan-2-yl-2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]benzamide
PubChem CID132664998
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-butan-2-yl-2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2
InChIInChI=1S/C22H28N2O4S/c1-5-15(2)23-21(25)18-8-6-7-9-19(18)24-29(26,27)17-10-11-20-16(14-17)12-13-22(3,4)28-20/h6-11,14-15,24H,5,12-13H2,1-4H3,(H,23,25)
InChIKeyFDNMVGCOFGRKGU-UHFFFAOYSA-N
XLogP4.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
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N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
N-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 100538267
N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 8823353
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
N-butan-2-yl-2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
CID 133207617
methyl 2-[[4-(butan-2-ylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109059083
N-(7-ethyl-2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide
CID 130246682
N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807428
2-[[3-(benzenesulfonamido)benzoyl]amino]-N-[(2R)-butan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]benzamide?
The IUPAC name of N-butan-2-yl-2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]benzamide (CID 132664998) is N-butan-2-yl-2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]benzamide is CCC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2.
What is the InChIKey of N-butan-2-yl-2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]benzamide?
The InChIKey is FDNMVGCOFGRKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-5-15(2)23-21(25)18-8-6-7-9-19(18)24-29(26,27)17-10-11-20-16(14-17)12-13-22(3,4)28-20/h6-11,14-15,24H,5,12-13H2,1-4H3,(H,23,25).
What are the key properties of N-butan-2-yl-2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]benzamide?
N-butan-2-yl-2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]benzamide has a molecular weight of 416.54 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]benzamide is sourced from PubChem (CID 132664998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).