N-(4-methylsulfonylcyclohexyl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide

C19H23N3O4S — CID 172566337

IUPACN-(4-methylsulfonylcyclohexyl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide
SMILESCS(=O)(=O)C1CCC(NC(=O)c2ccc3c(c2)-c2cncn2CCO3)CC1
InChIInChI=1S/C19H23N3O4S/c1-27(24,25)15-5-3-14(4-6-15)21-19(23)13-2-7-18-16(10-13)17-11-20-12-22(17)8-9-26-18/h2,7,10-12,14-15H,3-6,8-9H2,1H3,(H,21,23)
InChIKeyMPZFFIGMNBRBNQ-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.03
Rot. Bonds3

About N-(4-methylsulfonylcyclohexyl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide

N-(4-methylsulfonylcyclohexyl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide (PubChem CID 172566337) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(4-methylsulfonylcyclohexyl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfonylcyclohexyl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide
PubChem CID172566337
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-(4-methylsulfonylcyclohexyl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide
SMILESCS(=O)(=O)C1CCC(NC(=O)c2ccc3c(c2)-c2cncn2CCO3)CC1
InChIInChI=1S/C19H23N3O4S/c1-27(24,25)15-5-3-14(4-6-15)21-19(23)13-2-7-18-16(10-13)17-11-20-12-22(17)8-9-26-18/h2,7,10-12,14-15H,3-6,8-9H2,1H3,(H,21,23)
InChIKeyMPZFFIGMNBRBNQ-UHFFFAOYSA-N
XLogP2.03
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide
CID 172566384
N-[4-[[2-hydroxy-2-(trifluoromethyl)butyl]amino]cyclohexyl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide
CID 172566335
N-(2,3-dihydro-1-benzofuran-6-yl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide
CID 172566263
N-[2-[3-(difluoromethyl)azetidin-1-yl]pyrimidin-5-yl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide
CID 172566310
tert-butyl 5-(5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carbonylamino)-1,3-dihydroisoindole-2-carboxylate
CID 172566428
N-cyclohexyl-8-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide;2-methoxyethanol
CID 172566509
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
N-cyclopropyl-3-(1-cyclopropylsulfonyl-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide
CID 68737257
N-[(3R)-oxan-3-yl]-4,5-dihydroimidazo[5,1-d][1,5]benzoxazepine-9-carboxamide
CID 172566363
N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114296800
N-(4-ethylcyclohexyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 112816440
N-(1-methylsulfonylpyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide
CID 110866984

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylcyclohexyl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide?
The IUPAC name of N-(4-methylsulfonylcyclohexyl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide (CID 172566337) is N-(4-methylsulfonylcyclohexyl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide.
What is the SMILES notation for N-(4-methylsulfonylcyclohexyl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide?
The canonical SMILES for N-(4-methylsulfonylcyclohexyl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide is CS(=O)(=O)C1CCC(NC(=O)c2ccc3c(c2)-c2cncn2CCO3)CC1.
What is the InChIKey of N-(4-methylsulfonylcyclohexyl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide?
The InChIKey is MPZFFIGMNBRBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-27(24,25)15-5-3-14(4-6-15)21-19(23)13-2-7-18-16(10-13)17-11-20-12-22(17)8-9-26-18/h2,7,10-12,14-15H,3-6,8-9H2,1H3,(H,21,23).
What are the key properties of N-(4-methylsulfonylcyclohexyl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide?
N-(4-methylsulfonylcyclohexyl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylcyclohexyl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide is sourced from PubChem (CID 172566337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).