1-cyclopropyl-3-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea

C23H28N4O4S — CID 55883600

IUPAC1-cyclopropyl-3-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccc(NC(=O)NC4CC4)c3)CC2)c1
InChIInChI=1S/C23H28N4O4S/c1-16-6-7-17(2)21(14-16)32(30,31)27-12-10-26(11-13-27)22(28)18-4-3-5-20(15-18)25-23(29)24-19-8-9-19/h3-7,14-15,19H,8-13H2,1-2H3,(H2,24,25,29)
InChIKeyYTWBMSQATCDJCQ-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.73
Rot. Bonds5

About 1-cyclopropyl-3-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea

1-cyclopropyl-3-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea (PubChem CID 55883600) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea
PubChem CID55883600
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC Name1-cyclopropyl-3-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccc(NC(=O)NC4CC4)c3)CC2)c1
InChIInChI=1S/C23H28N4O4S/c1-16-6-7-17(2)21(14-16)32(30,31)27-12-10-26(11-13-27)22(28)18-4-3-5-20(15-18)25-23(29)24-19-8-9-19/h3-7,14-15,19H,8-13H2,1-2H3,(H2,24,25,29)
InChIKeyYTWBMSQATCDJCQ-UHFFFAOYSA-N
XLogP2.73
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 46429907
ethyl N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]carbamate
CID 26283493
4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 6466224
[2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-phenylmethanone
CID 26020417
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide
CID 108562425
N-[3-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 27231517
(4-chlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2674083
(4-aminophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119678550
2H-benzotriazol-5-yl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 24535867
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 51082716
1-[1-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]-3-phenylurea
CID 166193661

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea?
The IUPAC name of 1-cyclopropyl-3-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea (CID 55883600) is 1-cyclopropyl-3-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea is Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccc(NC(=O)NC4CC4)c3)CC2)c1.
What is the InChIKey of 1-cyclopropyl-3-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea?
The InChIKey is YTWBMSQATCDJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-16-6-7-17(2)21(14-16)32(30,31)27-12-10-26(11-13-27)22(28)18-4-3-5-20(15-18)25-23(29)24-19-8-9-19/h3-7,14-15,19H,8-13H2,1-2H3,(H2,24,25,29).
What are the key properties of 1-cyclopropyl-3-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea?
1-cyclopropyl-3-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea has a molecular weight of 456.57 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]urea is sourced from PubChem (CID 55883600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).