N,N-dimethyl-4-[2-(1-propan-2-ylindol-3-yl)acetyl]piperazine-1-sulfonamide

C19H28N4O3S — CID 71706138

IUPACN,N-dimethyl-4-[2-(1-propan-2-ylindol-3-yl)acetyl]piperazine-1-sulfonamide
SMILESCC(C)n1cc(CC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c2ccccc21
InChIInChI=1S/C19H28N4O3S/c1-15(2)23-14-16(17-7-5-6-8-18(17)23)13-19(24)21-9-11-22(12-10-21)27(25,26)20(3)4/h5-8,14-15H,9-13H2,1-4H3
InChIKeyUIQPQIPXPXRSEF-UHFFFAOYSA-N
MW392.53 g/mol
LogP1.72
Rot. Bonds5

About N,N-dimethyl-4-[2-(1-propan-2-ylindol-3-yl)acetyl]piperazine-1-sulfonamide

N,N-dimethyl-4-[2-(1-propan-2-ylindol-3-yl)acetyl]piperazine-1-sulfonamide (PubChem CID 71706138) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(1-propan-2-ylindol-3-yl)acetyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(1-propan-2-ylindol-3-yl)acetyl]piperazine-1-sulfonamide
PubChem CID71706138
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC NameN,N-dimethyl-4-[2-(1-propan-2-ylindol-3-yl)acetyl]piperazine-1-sulfonamide
SMILESCC(C)n1cc(CC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c2ccccc21
InChIInChI=1S/C19H28N4O3S/c1-15(2)23-14-16(17-7-5-6-8-18(17)23)13-19(24)21-9-11-22(12-10-21)27(25,26)20(3)4/h5-8,14-15H,9-13H2,1-4H3
InChIKeyUIQPQIPXPXRSEF-UHFFFAOYSA-N
XLogP1.72
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepane-1-sulfonamide
CID 139599568
4-[2-(2-methoxyphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32501062
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
methyl 2-(1-propan-2-ylindol-3-yl)acetate
CID 139389299
N,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide
CID 32502208
4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 110805060
3,3-dimethyl-1-[4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110809561
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
4-[2-(1,3-benzodioxol-5-yl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 110805106
N-[2-(dimethylamino)ethyl]-3-(1-propan-2-ylindol-3-yl)propanamide
CID 71702555
N,N-dimethyl-4-(2-naphthalen-2-ylsulfanylacetyl)piperazine-1-sulfonamide
CID 33006308

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(1-propan-2-ylindol-3-yl)acetyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-(1-propan-2-ylindol-3-yl)acetyl]piperazine-1-sulfonamide (CID 71706138) is N,N-dimethyl-4-[2-(1-propan-2-ylindol-3-yl)acetyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(1-propan-2-ylindol-3-yl)acetyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-(1-propan-2-ylindol-3-yl)acetyl]piperazine-1-sulfonamide is CC(C)n1cc(CC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c2ccccc21.
What is the InChIKey of N,N-dimethyl-4-[2-(1-propan-2-ylindol-3-yl)acetyl]piperazine-1-sulfonamide?
The InChIKey is UIQPQIPXPXRSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-15(2)23-14-16(17-7-5-6-8-18(17)23)13-19(24)21-9-11-22(12-10-21)27(25,26)20(3)4/h5-8,14-15H,9-13H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[2-(1-propan-2-ylindol-3-yl)acetyl]piperazine-1-sulfonamide?
N,N-dimethyl-4-[2-(1-propan-2-ylindol-3-yl)acetyl]piperazine-1-sulfonamide has a molecular weight of 392.53 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(1-propan-2-ylindol-3-yl)acetyl]piperazine-1-sulfonamide is sourced from PubChem (CID 71706138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).