N-(4-chloro-2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide

C21H17ClN2O2S — CID 22331415

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H17ClN2O2S/c1-13-11-15(18(26-2)12-14(13)22)23-21(25)24-16-7-3-5-9-19(16)27-20-10-6-4-8-17(20)24/h3-12H,1-2H3,(H,23,25)
InChIKeyNMUBDHRWVHHKEO-UHFFFAOYSA-N
MW396.90 g/mol
LogP6.49
Rot. Bonds2

About N-(4-chloro-2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide (PubChem CID 22331415) has the molecular formula C21H17ClN2O2S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide
PubChem CID22331415
Molecular FormulaC21H17ClN2O2S
Molecular Weight396.90 g/mol
Exact Mass396.07
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H17ClN2O2S/c1-13-11-15(18(26-2)12-14(13)22)23-21(25)24-16-7-3-5-9-19(16)27-20-10-6-4-8-17(20)24/h3-12H,1-2H3,(H,23,25)
InChIKeyNMUBDHRWVHHKEO-UHFFFAOYSA-N
XLogP6.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.90
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide
CID 4194410
N-(5-methoxy-2-methyl-4-nitrophenyl)phenothiazine-10-carboxamide
CID 3721974
methyl 2-(phenothiazine-10-carbonylamino)benzoate
CID 1045457
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)propanamide
CID 46341118
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)benzamide
CID 60680092
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
CID 108952893
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide
CID 895197
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea
CID 108988820
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7788336
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527534

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide (CID 22331415) is N-(4-chloro-2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide?
The InChIKey is NMUBDHRWVHHKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2S/c1-13-11-15(18(26-2)12-14(13)22)23-21(25)24-16-7-3-5-9-19(16)27-20-10-6-4-8-17(20)24/h3-12H,1-2H3,(H,23,25).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide has a molecular weight of 396.90 g/mol, XLogP of 6.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide is sourced from PubChem (CID 22331415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).