N-cyclohexyl-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carboxamide

C17H24N2OS — CID 17448242

IUPACN-cyclohexyl-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carboxamide
SMILESCC1CCN(C(=O)NC2CCCCC2)c2ccccc2S1
InChIInChI=1S/C17H24N2OS/c1-13-11-12-19(15-9-5-6-10-16(15)21-13)17(20)18-14-7-3-2-4-8-14/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H,18,20)
InChIKeyTZOXGXRUXIIGQJ-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.42
Rot. Bonds1

About N-cyclohexyl-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carboxamide

N-cyclohexyl-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carboxamide (PubChem CID 17448242) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carboxamide
PubChem CID17448242
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-cyclohexyl-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carboxamide
SMILESCC1CCN(C(=O)NC2CCCCC2)c2ccccc2S1
InChIInChI=1S/C17H24N2OS/c1-13-11-12-19(15-9-5-6-10-16(15)21-13)17(20)18-14-7-3-2-4-8-14/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H,18,20)
InChIKeyTZOXGXRUXIIGQJ-UHFFFAOYSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

N-[1-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46445441
N-cyclohexyl-4-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110746959
N-cycloheptyl-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92713130
N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221349
N-cyclohexyl-2-(2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
CID 20878098
[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 95627046
(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 46666771
N-tert-butyl-2-[methyl-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]amino]acetamide
CID 51226523
methyl 1-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]piperidine-4-carboxylate
CID 8742080
N,N-diethyl-2-[4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 55462539
[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(2-methylsulfanylphenyl)methanone
CID 31920394
[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 99589826

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carboxamide (CID 17448242) is N-cyclohexyl-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carboxamide is CC1CCN(C(=O)NC2CCCCC2)c2ccccc2S1.
What is the InChIKey of N-cyclohexyl-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carboxamide?
The InChIKey is TZOXGXRUXIIGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-13-11-12-19(15-9-5-6-10-16(15)21-13)17(20)18-14-7-3-2-4-8-14/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H,18,20).
What are the key properties of N-cyclohexyl-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carboxamide?
N-cyclohexyl-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carboxamide is sourced from PubChem (CID 17448242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).