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

C17H27N3O4S — CID 110811255

IUPACN-propan-2-yl-4-(4-propoxyphenyl)sulfonylpiperazine-1-carboxamide
SMILESCCCOc1ccc(S(=O)(=O)N2CCN(C(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C17H27N3O4S/c1-4-13-24-15-5-7-16(8-6-15)25(22,23)20-11-9-19(10-12-20)17(21)18-14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,18,21)
InChIKeyXNGPHNNWCDCNBX-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.90
Rot. Bonds6

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

N-propan-2-yl-4-(4-propoxyphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 110811255) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-propan-2-yl-4-(4-propoxyphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(4-propoxyphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID110811255
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN-propan-2-yl-4-(4-propoxyphenyl)sulfonylpiperazine-1-carboxamide
SMILESCCCOc1ccc(S(=O)(=O)N2CCN(C(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C17H27N3O4S/c1-4-13-24-15-5-7-16(8-6-15)25(22,23)20-11-9-19(10-12-20)17(21)18-14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,18,21)
InChIKeyXNGPHNNWCDCNBX-UHFFFAOYSA-N
XLogP1.90
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

N-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide
CID 110811202
1-(4-propoxyphenyl)sulfonylpyrrolidine
CID 60755176
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone
CID 8924542
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone
CID 2225522
4-(benzenesulfonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811945
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224
methyl 4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1,4-diazepane-1-carboxylate
CID 110799109
N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide
CID 4938402
[(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]urea
CID 7873367
methyl (2S)-2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]amino]-3-methylbutanoate
CID 39333172
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119978174
ethyl 4-(6-propoxynaphthalen-2-yl)sulfonylpiperazine-1-carboxylate
CID 50876354

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(4-propoxyphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-propan-2-yl-4-(4-propoxyphenyl)sulfonylpiperazine-1-carboxamide (CID 110811255) is N-propan-2-yl-4-(4-propoxyphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-(4-propoxyphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-4-(4-propoxyphenyl)sulfonylpiperazine-1-carboxamide is CCCOc1ccc(S(=O)(=O)N2CCN(C(=O)NC(C)C)CC2)cc1.
What is the InChIKey of N-propan-2-yl-4-(4-propoxyphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is XNGPHNNWCDCNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-4-13-24-15-5-7-16(8-6-15)25(22,23)20-11-9-19(10-12-20)17(21)18-14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,18,21).
What are the key properties of N-propan-2-yl-4-(4-propoxyphenyl)sulfonylpiperazine-1-carboxamide?
N-propan-2-yl-4-(4-propoxyphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 1.90, 6 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-propoxyphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 110811255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).