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

C30H26N2O4S — CID 19318691

IUPACN-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(SC(C)C(=O)n3c4ccccc4c4ccccc43)c2)cc1OC
InChIInChI=1S/C30H26N2O4S/c1-19(30(34)32-25-13-6-4-11-23(25)24-12-5-7-14-26(24)32)37-22-10-8-9-21(18-22)31-29(33)20-15-16-27(35-2)28(17-20)36-3/h4-19H,1-3H3,(H,31,33)
InChIKeyHFYRMWKFCUVJLZ-UHFFFAOYSA-N
MW510.62 g/mol
LogP6.89
Rot. Bonds7

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

N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-3,4-dimethoxybenzamide (PubChem CID 19318691) has the molecular formula C30H26N2O4S and a molecular weight of 510.62 g/mol. Its IUPAC name is N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-3,4-dimethoxybenzamide
PubChem CID19318691
Molecular FormulaC30H26N2O4S
Molecular Weight510.62 g/mol
Exact Mass510.16
IUPAC NameN-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(SC(C)C(=O)n3c4ccccc4c4ccccc43)c2)cc1OC
InChIInChI=1S/C30H26N2O4S/c1-19(30(34)32-25-13-6-4-11-23(25)24-12-5-7-14-26(24)32)37-22-10-8-9-21(18-22)31-29(33)20-15-16-27(35-2)28(17-20)36-3/h4-19H,1-3H3,(H,31,33)
InChIKeyHFYRMWKFCUVJLZ-UHFFFAOYSA-N
XLogP6.89
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.62
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methoxybenzamide
CID 19318694
N-[3-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902697
N-[3-[1-(2-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902664
N-[3-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902675
3-[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]-4-methylbenzoic acid
CID 18902724
3,4-dimethoxy-N-[3-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18912708
N-[4-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide
CID 23095975
N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902730
3,4-dimethoxy-N-[3-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide
CID 18902904
3,4-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18902914
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
3,4-dimethoxy-N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]benzamide
CID 21169132

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-3,4-dimethoxybenzamide (CID 19318691) is N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cccc(SC(C)C(=O)n3c4ccccc4c4ccccc43)c2)cc1OC.
What is the InChIKey of N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-3,4-dimethoxybenzamide?
The InChIKey is HFYRMWKFCUVJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O4S/c1-19(30(34)32-25-13-6-4-11-23(25)24-12-5-7-14-26(24)32)37-22-10-8-9-21(18-22)31-29(33)20-15-16-27(35-2)28(17-20)36-3/h4-19H,1-3H3,(H,31,33).
What are the key properties of N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-3,4-dimethoxybenzamide?
N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-3,4-dimethoxybenzamide has a molecular weight of 510.62 g/mol, XLogP of 6.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-carbazol-9-yl-1-oxopropan-2-yl)sulfanylphenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 19318691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).