4-(4-acetylphenyl)-N,N-dipropylpiperazine-1-sulfonamide

C18H29N3O3S — CID 55627442

IUPAC4-(4-acetylphenyl)-N,N-dipropylpiperazine-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C18H29N3O3S/c1-4-10-20(11-5-2)25(23,24)21-14-12-19(13-15-21)18-8-6-17(7-9-18)16(3)22/h6-9H,4-5,10-15H2,1-3H3
InChIKeyGSCTYCDYGBIIFV-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.38
Rot. Bonds8

About 4-(4-acetylphenyl)-N,N-dipropylpiperazine-1-sulfonamide

4-(4-acetylphenyl)-N,N-dipropylpiperazine-1-sulfonamide (PubChem CID 55627442) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 4-(4-acetylphenyl)-N,N-dipropylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(4-acetylphenyl)-N,N-dipropylpiperazine-1-sulfonamide
PubChem CID55627442
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name4-(4-acetylphenyl)-N,N-dipropylpiperazine-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C18H29N3O3S/c1-4-10-20(11-5-2)25(23,24)21-14-12-19(13-15-21)18-8-6-17(7-9-18)16(3)22/h6-9H,4-5,10-15H2,1-3H3
InChIKeyGSCTYCDYGBIIFV-UHFFFAOYSA-N
XLogP2.38
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)-N,N-dipropylpiperazine-1-sulfonamide?
The IUPAC name of 4-(4-acetylphenyl)-N,N-dipropylpiperazine-1-sulfonamide (CID 55627442) is 4-(4-acetylphenyl)-N,N-dipropylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(4-acetylphenyl)-N,N-dipropylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(4-acetylphenyl)-N,N-dipropylpiperazine-1-sulfonamide is CCCN(CCC)S(=O)(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of 4-(4-acetylphenyl)-N,N-dipropylpiperazine-1-sulfonamide?
The InChIKey is GSCTYCDYGBIIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-4-10-20(11-5-2)25(23,24)21-14-12-19(13-15-21)18-8-6-17(7-9-18)16(3)22/h6-9H,4-5,10-15H2,1-3H3.
What are the key properties of 4-(4-acetylphenyl)-N,N-dipropylpiperazine-1-sulfonamide?
4-(4-acetylphenyl)-N,N-dipropylpiperazine-1-sulfonamide has a molecular weight of 367.52 g/mol, XLogP of 2.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)-N,N-dipropylpiperazine-1-sulfonamide is sourced from PubChem (CID 55627442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).