N-(4-butoxyphenyl)phenothiazine-10-carboxamide

C23H22N2O2S — CID 4939729

IUPACN-(4-butoxyphenyl)phenothiazine-10-carboxamide
SMILESCCCCOc1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C23H22N2O2S/c1-2-3-16-27-18-14-12-17(13-15-18)24-23(26)25-19-8-4-6-10-21(19)28-22-11-7-5-9-20(22)25/h4-15H,2-3,16H2,1H3,(H,24,26)
InChIKeyYEKIKQMFDHSELY-UHFFFAOYSA-N
MW390.51 g/mol
LogP6.70
Rot. Bonds5

About N-(4-butoxyphenyl)phenothiazine-10-carboxamide

N-(4-butoxyphenyl)phenothiazine-10-carboxamide (PubChem CID 4939729) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(4-butoxyphenyl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)phenothiazine-10-carboxamide
PubChem CID4939729
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-(4-butoxyphenyl)phenothiazine-10-carboxamide
SMILESCCCCOc1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C23H22N2O2S/c1-2-3-16-27-18-14-12-17(13-15-18)24-23(26)25-19-8-4-6-10-21(19)28-22-11-7-5-9-20(22)25/h4-15H,2-3,16H2,1H3,(H,24,26)
InChIKeyYEKIKQMFDHSELY-UHFFFAOYSA-N
XLogP6.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide
CID 3709693
N-(4-butoxyphenyl)piperidine-1-carboxamide
CID 3042761
N-[3-(methoxymethyl)phenyl]phenothiazine-10-carboxamide
CID 56923247
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]pentanamide
CID 23095726
N-(4-butoxyphenyl)butanamide
CID 4939679
1-(4-butoxyphenyl)-3-methylurea
CID 127511148
N-(4-ethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 20907192
N-(4-butoxyphenyl)-2-(ethylamino)acetamide
CID 54821038
2-[(4-decoxyphenyl)carbamoyl]benzoic acid
CID 51001456
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
3-chloro-N-(4-heptoxyphenyl)-1-benzothiophene-2-carboxamide
CID 4951485

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)phenothiazine-10-carboxamide?
The IUPAC name of N-(4-butoxyphenyl)phenothiazine-10-carboxamide (CID 4939729) is N-(4-butoxyphenyl)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(4-butoxyphenyl)phenothiazine-10-carboxamide?
The canonical SMILES for N-(4-butoxyphenyl)phenothiazine-10-carboxamide is CCCCOc1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of N-(4-butoxyphenyl)phenothiazine-10-carboxamide?
The InChIKey is YEKIKQMFDHSELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-2-3-16-27-18-14-12-17(13-15-18)24-23(26)25-19-8-4-6-10-21(19)28-22-11-7-5-9-20(22)25/h4-15H,2-3,16H2,1H3,(H,24,26).
What are the key properties of N-(4-butoxyphenyl)phenothiazine-10-carboxamide?
N-(4-butoxyphenyl)phenothiazine-10-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 6.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)phenothiazine-10-carboxamide is sourced from PubChem (CID 4939729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).