4-(1-ethylindol-5-yl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carboxamide

C23H28N4O3S — CID 20966680

IUPAC4-(1-ethylindol-5-yl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(ccn3CC)c2)CC1
InChIInChI=1S/C23H28N4O3S/c1-3-18-7-5-6-8-21(18)24-23(28)26-13-15-27(16-14-26)31(29,30)20-9-10-22-19(17-20)11-12-25(22)4-2/h5-12,17H,3-4,13-16H2,1-2H3,(H,24,28)
InChIKeyGMBCXWVCRYRZFO-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.76
Rot. Bonds5

About 4-(1-ethylindol-5-yl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carboxamide

4-(1-ethylindol-5-yl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carboxamide (PubChem CID 20966680) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 4-(1-ethylindol-5-yl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-ethylindol-5-yl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carboxamide
PubChem CID20966680
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name4-(1-ethylindol-5-yl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(ccn3CC)c2)CC1
InChIInChI=1S/C23H28N4O3S/c1-3-18-7-5-6-8-21(18)24-23(28)26-13-15-27(16-14-26)31(29,30)20-9-10-22-19(17-20)11-12-25(22)4-2/h5-12,17H,3-4,13-16H2,1-2H3,(H,24,28)
InChIKeyGMBCXWVCRYRZFO-UHFFFAOYSA-N
XLogP3.76
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[4-(1-ethylindol-5-yl)sulfonyl-1,4-diazepane-1-carbonyl]amino]benzoate
CID 50799015
N-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6467053
4-(1-methylindol-5-yl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 50744365
N-(3-chloro-2-methylphenyl)-4-(1-methylindol-5-yl)sulfonylpiperazine-1-carboxamide
CID 50799026
1-(1-ethylindol-5-yl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 20966183
[1-(1-ethylindol-5-yl)sulfonylpiperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 20966171
N-(2-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26208569
N-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 17299399
1-(1-ethylindol-5-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide
CID 20966193
(3R)-N-[(2-ethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751320
N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 8839499
1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 20966208

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylindol-5-yl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(1-ethylindol-5-yl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carboxamide (CID 20966680) is 4-(1-ethylindol-5-yl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1-ethylindol-5-yl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1-ethylindol-5-yl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carboxamide is CCc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(ccn3CC)c2)CC1.
What is the InChIKey of 4-(1-ethylindol-5-yl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carboxamide?
The InChIKey is GMBCXWVCRYRZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-3-18-7-5-6-8-21(18)24-23(28)26-13-15-27(16-14-26)31(29,30)20-9-10-22-19(17-20)11-12-25(22)4-2/h5-12,17H,3-4,13-16H2,1-2H3,(H,24,28).
What are the key properties of 4-(1-ethylindol-5-yl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carboxamide?
4-(1-ethylindol-5-yl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylindol-5-yl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 20966680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).