N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide

C20H19ClN2O2S — CID 55669572

IUPACN-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)N2CCSc3ccc(Cl)cc32)c1
InChIInChI=1S/C20H19ClN2O2S/c1-12-9-16(12)19(24)22-15-4-2-3-13(10-15)20(25)23-7-8-26-18-6-5-14(21)11-17(18)23/h2-6,10-12,16H,7-9H2,1H3,(H,22,24)
InChIKeyBWUHKPSKPICRFW-UHFFFAOYSA-N
MW386.90 g/mol
LogP4.69
Rot. Bonds3

About N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide

N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 55669572) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID55669572
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC NameN-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)N2CCSc3ccc(Cl)cc32)c1
InChIInChI=1S/C20H19ClN2O2S/c1-12-9-16(12)19(24)22-15-4-2-3-13(10-15)20(25)23-7-8-26-18-6-5-14(21)11-17(18)23/h2-6,10-12,16H,7-9H2,1H3,(H,22,24)
InChIKeyBWUHKPSKPICRFW-UHFFFAOYSA-N
XLogP4.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]oxolane-2-carboxamide
CID 51936316
N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450403
N-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 55651270
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3,4-dimethylphenyl)methanone
CID 52575095
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
2-methyl-N-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 55670463
2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119562707
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone
CID 55775059
2-methyl-N-[3-(4-phenylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 55647883
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone
CID 55775091
N-[2-(4-chlorophenyl)sulfanylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55650261
2-methyl-N-[3-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 55650507

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide (CID 55669572) is N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1cccc(C(=O)N2CCSc3ccc(Cl)cc32)c1.
What is the InChIKey of N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is BWUHKPSKPICRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c1-12-9-16(12)19(24)22-15-4-2-3-13(10-15)20(25)23-7-8-26-18-6-5-14(21)11-17(18)23/h2-6,10-12,16H,7-9H2,1H3,(H,22,24).
What are the key properties of N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide?
N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 386.90 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 55669572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).