N-[4-(4-cycloheptylpiperazin-1-yl)sulfonylphenyl]acetamide

C19H29N3O3S — CID 1151816

IUPACN-[4-(4-cycloheptylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C3CCCCCC3)CC2)cc1
InChIInChI=1S/C19H29N3O3S/c1-16(23)20-17-8-10-19(11-9-17)26(24,25)22-14-12-21(13-15-22)18-6-4-2-3-5-7-18/h8-11,18H,2-7,12-15H2,1H3,(H,20,23)
InChIKeyIVPOQXWRUMMORK-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.67
Rot. Bonds4

About N-[4-(4-cycloheptylpiperazin-1-yl)sulfonylphenyl]acetamide

N-[4-(4-cycloheptylpiperazin-1-yl)sulfonylphenyl]acetamide (PubChem CID 1151816) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[4-(4-cycloheptylpiperazin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-cycloheptylpiperazin-1-yl)sulfonylphenyl]acetamide
PubChem CID1151816
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-[4-(4-cycloheptylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C3CCCCCC3)CC2)cc1
InChIInChI=1S/C19H29N3O3S/c1-16(23)20-17-8-10-19(11-9-17)26(24,25)22-14-12-21(13-15-22)18-6-4-2-3-5-7-18/h8-11,18H,2-7,12-15H2,1H3,(H,20,23)
InChIKeyIVPOQXWRUMMORK-UHFFFAOYSA-N
XLogP2.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cycloheptylpiperazin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-(4-cycloheptylpiperazin-1-yl)sulfonylphenyl]acetamide (CID 1151816) is N-[4-(4-cycloheptylpiperazin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-(4-cycloheptylpiperazin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-(4-cycloheptylpiperazin-1-yl)sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C3CCCCCC3)CC2)cc1.
What is the InChIKey of N-[4-(4-cycloheptylpiperazin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is IVPOQXWRUMMORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-16(23)20-17-8-10-19(11-9-17)26(24,25)22-14-12-21(13-15-22)18-6-4-2-3-5-7-18/h8-11,18H,2-7,12-15H2,1H3,(H,20,23).
What are the key properties of N-[4-(4-cycloheptylpiperazin-1-yl)sulfonylphenyl]acetamide?
N-[4-(4-cycloheptylpiperazin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 379.53 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cycloheptylpiperazin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 1151816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).