N-[3-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]naphthalene-2-carboxamide

C32H24N2O2S2 — CID 19318602

IUPACN-[3-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]naphthalene-2-carboxamide
SMILESCC(Sc1cccc(NC(=O)c2ccc3ccccc3c2)c1)C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C32H24N2O2S2/c1-21(32(36)34-27-13-4-6-15-29(27)38-30-16-7-5-14-28(30)34)37-26-12-8-11-25(20-26)33-31(35)24-18-17-22-9-2-3-10-23(22)19-24/h2-21H,1H3,(H,33,35)
InChIKeyDRLGBUMGZQHAFX-UHFFFAOYSA-N
MW532.69 g/mol
LogP8.40
Rot. Bonds5

About N-[3-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]naphthalene-2-carboxamide

N-[3-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]naphthalene-2-carboxamide (PubChem CID 19318602) has the molecular formula C32H24N2O2S2 and a molecular weight of 532.69 g/mol. Its IUPAC name is N-[3-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]naphthalene-2-carboxamide
PubChem CID19318602
Molecular FormulaC32H24N2O2S2
Molecular Weight532.69 g/mol
Exact Mass532.13
IUPAC NameN-[3-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]naphthalene-2-carboxamide
SMILESCC(Sc1cccc(NC(=O)c2ccc3ccccc3c2)c1)C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C32H24N2O2S2/c1-21(32(36)34-27-13-4-6-15-29(27)38-30-16-7-5-14-28(30)34)37-26-12-8-11-25(20-26)33-31(35)24-18-17-22-9-2-3-10-23(22)19-24/h2-21H,1H3,(H,33,35)
InChIKeyDRLGBUMGZQHAFX-UHFFFAOYSA-N
XLogP8.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylphenyl]naphthalene-2-carboxamide
CID 19318629
1-[3-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]-3-phenylthiourea
CID 19318288
3-chloro-N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]benzamide
CID 21167207
N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908164
3,4-dimethoxy-N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]benzamide
CID 21169132
N-[3-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908141
4-[[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid
CID 22784579
N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908145
1-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]-3-phenylurea
CID 19712284
N-[3-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908142
2,6-dimethoxy-N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]benzamide
CID 21169133
1-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]-3-phenylthiourea
CID 19712999

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]naphthalene-2-carboxamide (CID 19318602) is N-[3-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]naphthalene-2-carboxamide is CC(Sc1cccc(NC(=O)c2ccc3ccccc3c2)c1)C(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-[3-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]naphthalene-2-carboxamide?
The InChIKey is DRLGBUMGZQHAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O2S2/c1-21(32(36)34-27-13-4-6-15-29(27)38-30-16-7-5-14-28(30)34)37-26-12-8-11-25(20-26)33-31(35)24-18-17-22-9-2-3-10-23(22)19-24/h2-21H,1H3,(H,33,35).
What are the key properties of N-[3-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]naphthalene-2-carboxamide?
N-[3-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]naphthalene-2-carboxamide has a molecular weight of 532.69 g/mol, XLogP of 8.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 19318602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).