N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methoxybenzamide

C29H24N2O3S — CID 19318694

IUPACN-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(SC(C)C(=O)n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C29H24N2O3S/c1-19(29(33)31-26-12-5-3-10-24(26)25-11-4-6-13-27(25)31)35-23-9-7-8-21(18-23)30-28(32)20-14-16-22(34-2)17-15-20/h3-19H,1-2H3,(H,30,32)
InChIKeyDPZSYHLAXOAAQX-UHFFFAOYSA-N
MW480.59 g/mol
LogP6.88
Rot. Bonds6

About N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methoxybenzamide

N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methoxybenzamide (PubChem CID 19318694) has the molecular formula C29H24N2O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methoxybenzamide
PubChem CID19318694
Molecular FormulaC29H24N2O3S
Molecular Weight480.59 g/mol
Exact Mass480.15
IUPAC NameN-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(SC(C)C(=O)n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C29H24N2O3S/c1-19(29(33)31-26-12-5-3-10-24(26)25-11-4-6-13-27(25)31)35-23-9-7-8-21(18-23)30-28(32)20-14-16-22(34-2)17-15-20/h3-19H,1-2H3,(H,30,32)
InChIKeyDPZSYHLAXOAAQX-UHFFFAOYSA-N
XLogP6.88
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-3,4-dimethoxybenzamide
CID 19318691
N-[4-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide
CID 23095975
N-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxobutan-2-yl]sulfanylphenyl]-4-methoxybenzamide
CID 18912963
N-[3-[1-(2,5-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-methoxybenzamide
CID 18903542
N-[3-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-methoxybenzamide
CID 18903534
N-[(Z)-3-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylanilino]-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19300644
N-[3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 18906732
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
4-[[2-[3-[(4-methoxybenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid
CID 18903794
N-[(E)-3-[3-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylanilino]-1-(2,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19300416
N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908164
4-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid
CID 18903290

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methoxybenzamide (CID 19318694) is N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(SC(C)C(=O)n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methoxybenzamide?
The InChIKey is DPZSYHLAXOAAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O3S/c1-19(29(33)31-26-12-5-3-10-24(26)25-11-4-6-13-27(25)31)35-23-9-7-8-21(18-23)30-28(32)20-14-16-22(34-2)17-15-20/h3-19H,1-2H3,(H,30,32).
What are the key properties of N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methoxybenzamide?
N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methoxybenzamide has a molecular weight of 480.59 g/mol, XLogP of 6.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methoxybenzamide is sourced from PubChem (CID 19318694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).