N-cyclopropyl-3-(2-ethyl-4-methylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide

C18H27N3O3S — CID 154759478

IUPACN-cyclopropyl-3-(2-ethyl-4-methylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
SMILESCCC1CN(C)CCN1C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C
InChIInChI=1S/C18H27N3O3S/c1-4-15-12-20(3)9-10-21(15)18(22)17-11-16(8-5-13(17)2)25(23,24)19-14-6-7-14/h5,8,11,14-15,19H,4,6-7,9-10,12H2,1-3H3
InChIKeyMSWIGHVKUPLSBK-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.60
Rot. Bonds5

About N-cyclopropyl-3-(2-ethyl-4-methylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide

N-cyclopropyl-3-(2-ethyl-4-methylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide (PubChem CID 154759478) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-ethyl-4-methylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-ethyl-4-methylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
PubChem CID154759478
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-cyclopropyl-3-(2-ethyl-4-methylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
SMILESCCC1CN(C)CCN1C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C
InChIInChI=1S/C18H27N3O3S/c1-4-15-12-20(3)9-10-21(15)18(22)17-11-16(8-5-13(17)2)25(23,24)19-14-6-7-14/h5,8,11,14-15,19H,4,6-7,9-10,12H2,1-3H3
InChIKeyMSWIGHVKUPLSBK-UHFFFAOYSA-N
XLogP1.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(aminomethyl)-4-methylpiperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 167745067
N-ethyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-4-methylbenzenesulfonamide
CID 34286430
N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119490233
N-ethyl-4-methyl-3-(4-methyl-2-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 55532663
N-cyclopropyl-3-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 49070882
N-cyclopropyl-4-methyl-3-[4-(2-phenylethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55489639
4-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32505338
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-4-methylbenzenesulfonamide
CID 119594513
3-[2-(aminomethyl)piperidine-1-carbonyl]-N-ethyl-4-methylbenzenesulfonamide;hydrochloride
CID 119466557
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-cyclopropyl-4-methylbenzenesulfonamide
CID 120814473
N-cyclopropyl-4-methyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30536533
N-tert-butyl-4-methyl-3-(4-methyl-2-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 55453057

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-ethyl-4-methylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-3-(2-ethyl-4-methylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide (CID 154759478) is N-cyclopropyl-3-(2-ethyl-4-methylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3-(2-ethyl-4-methylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3-(2-ethyl-4-methylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide is CCC1CN(C)CCN1C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C.
What is the InChIKey of N-cyclopropyl-3-(2-ethyl-4-methylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide?
The InChIKey is MSWIGHVKUPLSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-4-15-12-20(3)9-10-21(15)18(22)17-11-16(8-5-13(17)2)25(23,24)19-14-6-7-14/h5,8,11,14-15,19H,4,6-7,9-10,12H2,1-3H3.
What are the key properties of N-cyclopropyl-3-(2-ethyl-4-methylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide?
N-cyclopropyl-3-(2-ethyl-4-methylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide has a molecular weight of 365.50 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-ethyl-4-methylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 154759478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).