N-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide

C17H27N3O4S — CID 110811202

IUPACN-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(S(=O)(=O)c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C17H27N3O4S/c1-13(2)18-17(21)19-9-11-20(12-10-19)25(22,23)16-7-5-15(6-8-16)24-14(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,18,21)
InChIKeyOTPSVBDZZRUIFG-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.90
Rot. Bonds5

About N-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide

N-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 110811202) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID110811202
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(S(=O)(=O)c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C17H27N3O4S/c1-13(2)18-17(21)19-9-11-20(12-10-19)25(22,23)16-7-5-15(6-8-16)24-14(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,18,21)
InChIKeyOTPSVBDZZRUIFG-UHFFFAOYSA-N
XLogP1.90
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propan-2-yl-4-(4-propoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 110811255
1-[4-(4-propan-2-yloxyphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796548
4-(benzenesulfonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811945
N-propan-2-yl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide
CID 110813014
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 2664177
methyl (2S)-2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]amino]-3-methylbutanoate
CID 39333172
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 51274173
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-propan-2-yloxybenzamide
CID 4951892
4-(4-methoxyphenyl)sulfonyl-N-[(1R)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
CID 33433764
(5-methyl-1H-pyrazol-3-yl)-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110328631
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 55680186
N-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6470039

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide (CID 110811202) is N-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide is CC(C)NC(=O)N1CCN(S(=O)(=O)c2ccc(OC(C)C)cc2)CC1.
What is the InChIKey of N-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is OTPSVBDZZRUIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-13(2)18-17(21)19-9-11-20(12-10-19)25(22,23)16-7-5-15(6-8-16)24-14(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,18,21).
What are the key properties of N-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide?
N-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 110811202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).