N-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide

C23H22N2OS — CID 2936908

IUPACN-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide
SMILESCCC(C)c1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C23H22N2OS/c1-3-16(2)17-12-14-18(15-13-17)24-23(26)25-19-8-4-6-10-21(19)27-22-11-7-5-9-20(22)25/h4-16H,3H2,1-2H3,(H,24,26)
InChIKeyCPLDHXUZWCUBQQ-UHFFFAOYSA-N
MW374.51 g/mol
LogP7.03
Rot. Bonds3

About N-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide

N-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide (PubChem CID 2936908) has the molecular formula C23H22N2OS and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide
PubChem CID2936908
Molecular FormulaC23H22N2OS
Molecular Weight374.51 g/mol
Exact Mass374.15
IUPAC NameN-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide
SMILESCCC(C)c1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C23H22N2OS/c1-3-16(2)17-12-14-18(15-13-17)24-23(26)25-19-8-4-6-10-21(19)27-22-11-7-5-9-20(22)25/h4-16H,3H2,1-2H3,(H,24,26)
InChIKeyCPLDHXUZWCUBQQ-UHFFFAOYSA-N
XLogP7.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.51
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-butoxyphenyl)phenothiazine-10-carboxamide
CID 4939729
2-acetyl-N-phenylphenothiazine-10-carboxamide
CID 4153875
ethyl 2-chloro-4-(phenothiazine-10-carbonylamino)benzoate
CID 28572191
2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide
CID 43702131
(2S)-2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide
CID 104897241
N-[4-[(2S)-butan-2-yl]phenyl]-4-phenylpiperazine-1-carboxamide
CID 40635402
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
N-[3-(methoxymethyl)phenyl]phenothiazine-10-carboxamide
CID 56923247
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
N-[(1R)-1-(4-fluorophenyl)ethyl]phenothiazine-10-carboxamide
CID 92674241
N-(2-chlorophenyl)phenothiazine-10-carboxamide
CID 19916612
N-[(2S)-2-ethylhexyl]phenothiazine-10-carboxamide
CID 94842488

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide?
The IUPAC name of N-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide (CID 2936908) is N-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide is CCC(C)c1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide?
The InChIKey is CPLDHXUZWCUBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2OS/c1-3-16(2)17-12-14-18(15-13-17)24-23(26)25-19-8-4-6-10-21(19)27-22-11-7-5-9-20(22)25/h4-16H,3H2,1-2H3,(H,24,26).
What are the key properties of N-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide?
N-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 7.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide is sourced from PubChem (CID 2936908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).