N-[4-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide

C29H24N2O2S — CID 23095975

IUPACN-[4-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(SC(C)C(=O)n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C29H24N2O2S/c1-19-11-13-21(14-12-19)28(32)30-22-15-17-23(18-16-22)34-20(2)29(33)31-26-9-5-3-7-24(26)25-8-4-6-10-27(25)31/h3-18,20H,1-2H3,(H,30,32)
InChIKeyTUBSAZYIKFJTQJ-UHFFFAOYSA-N
MW464.59 g/mol
LogP7.18
Rot. Bonds5

About N-[4-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide

N-[4-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide (PubChem CID 23095975) has the molecular formula C29H24N2O2S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-[4-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide
PubChem CID23095975
Molecular FormulaC29H24N2O2S
Molecular Weight464.59 g/mol
Exact Mass464.16
IUPAC NameN-[4-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(SC(C)C(=O)n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C29H24N2O2S/c1-19-11-13-21(14-12-19)28(32)30-22-15-17-23(18-16-22)34-20(2)29(33)31-26-9-5-3-7-24(26)25-8-4-6-10-27(25)31/h3-18,20H,1-2H3,(H,30,32)
InChIKeyTUBSAZYIKFJTQJ-UHFFFAOYSA-N
XLogP7.18
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.59
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methoxybenzamide
CID 19318694
4-[2-[4-[(4-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid
CID 22780080
N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-3,4-dimethoxybenzamide
CID 19318691
N-[(Z)-3-[4-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylanilino]-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22784051
N-[(Z)-3-[4-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylanilino]-3-oxo-1-thiophen-3-ylprop-1-en-2-yl]benzamide
CID 22784251
4-methyl-N-[4-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 23096211
N-[(Z)-3-[4-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylanilino]-1-(2,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22783951
N-[3-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide
CID 18906978
N-[4-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide
CID 22783049
N-[4-[1-[4-(1,3-benzoxazol-2-yl)anilino]-1-oxopropan-2-yl]sulfanylphenyl]-4-methylbenzamide
CID 23100777
4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide
CID 110793142
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide?
The IUPAC name of N-[4-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide (CID 23095975) is N-[4-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(SC(C)C(=O)n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of N-[4-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide?
The InChIKey is TUBSAZYIKFJTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O2S/c1-19-11-13-21(14-12-19)28(32)30-22-15-17-23(18-16-22)34-20(2)29(33)31-26-9-5-3-7-24(26)25-8-4-6-10-27(25)31/h3-18,20H,1-2H3,(H,30,32).
What are the key properties of N-[4-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide?
N-[4-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide has a molecular weight of 464.59 g/mol, XLogP of 7.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide is sourced from PubChem (CID 23095975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).