N-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide

C23H22N2OS — CID 2972347

IUPACN-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C23H22N2OS/c1-17(15-16-18-9-3-2-4-10-18)24-23(26)25-19-11-5-7-13-21(19)27-22-14-8-6-12-20(22)25/h2-14,17H,15-16H2,1H3,(H,24,26)
InChIKeyWRJZVWGMSCSBDJ-UHFFFAOYSA-N
MW374.51 g/mol
LogP6.02
Rot. Bonds4

About N-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide

N-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide (PubChem CID 2972347) has the molecular formula C23H22N2OS and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide
PubChem CID2972347
Molecular FormulaC23H22N2OS
Molecular Weight374.51 g/mol
Exact Mass374.15
IUPAC NameN-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C23H22N2OS/c1-17(15-16-18-9-3-2-4-10-18)24-23(26)25-19-11-5-7-13-21(19)27-22-14-8-6-12-20(22)25/h2-14,17H,15-16H2,1H3,(H,24,26)
InChIKeyWRJZVWGMSCSBDJ-UHFFFAOYSA-N
XLogP6.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.51
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 3-phenothiazin-10-ylpropanoate
CID 5185612
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 3-phenothiazin-10-ylpropanoate
CID 2111863
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 4877804
(2E)-2-[4-[(2-chlorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 93310121
2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 40617650
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 92724954
2-amino-N'-(2-oxo-2-phenothiazin-10-ylethyl)propanehydrazide
CID 53461661

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide?
The IUPAC name of N-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide (CID 2972347) is N-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide is CC(CCc1ccccc1)NC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide?
The InChIKey is WRJZVWGMSCSBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2OS/c1-17(15-16-18-9-3-2-4-10-18)24-23(26)25-19-11-5-7-13-21(19)27-22-14-8-6-12-20(22)25/h2-14,17H,15-16H2,1H3,(H,24,26).
What are the key properties of N-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide?
N-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide is sourced from PubChem (CID 2972347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).