2-methyl-N-[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide

C17H23N3O4S — CID 46429453

IUPAC2-methyl-N-[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C17H23N3O4S/c1-12-11-15(12)16(21)18-14-5-3-13(4-6-14)17(22)19-7-9-20(10-8-19)25(2,23)24/h3-6,12,15H,7-11H2,1-2H3,(H,18,21)
InChIKeyRRIMNLZWTRQTDT-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.00
Rot. Bonds4

About 2-methyl-N-[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide

2-methyl-N-[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 46429453) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-methyl-N-[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
PubChem CID46429453
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name2-methyl-N-[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C17H23N3O4S/c1-12-11-15(12)16(21)18-14-5-3-13(4-6-14)17(22)19-7-9-20(10-8-19)25(2,23)24/h3-6,12,15H,7-11H2,1-2H3,(H,18,21)
InChIKeyRRIMNLZWTRQTDT-UHFFFAOYSA-N
XLogP1.00
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 46450470
trans-(1S,2S)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 97023008
cis-(1S,2R)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 97023007
N-cyclohexyl-4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazine-1-carboxamide
CID 55651049
N-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450621
cis-(1S,2R)-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 38765611
2-methyl-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119579414
6-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136534
N-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
CID 119624288
trans-(1S,2S)-2-methyl-N-[4-(4-methyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 97262540
cis-(1S,2R)-2-methyl-N-[4-(4-methyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 97262539
ethyl 6-[4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperazin-1-yl]pyridine-3-carboxylate
CID 55651011

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide (CID 46429453) is 2-methyl-N-[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide is CC1CC1C(=O)Nc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of 2-methyl-N-[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is RRIMNLZWTRQTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-12-11-15(12)16(21)18-14-5-3-13(4-6-14)17(22)19-7-9-20(10-8-19)25(2,23)24/h3-6,12,15H,7-11H2,1-2H3,(H,18,21).
What are the key properties of 2-methyl-N-[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide?
2-methyl-N-[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 46429453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).