1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-ethylsulfonyl-2-methylazetidine-2-carboxamide

C17H21ClN2O4S — CID 46943180

IUPAC1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-ethylsulfonyl-2-methylazetidine-2-carboxamide
SMILESCCS(=O)(=O)NC(=O)C1(C)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H21ClN2O4S/c1-3-25(23,24)19-14(21)16(2)10-11-20(16)15(22)17(8-9-17)12-4-6-13(18)7-5-12/h4-7H,3,8-11H2,1-2H3,(H,19,21)
InChIKeyINHOOUCNJZHSHE-UHFFFAOYSA-N
MW384.89 g/mol
LogP1.83
Rot. Bonds5

About 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-ethylsulfonyl-2-methylazetidine-2-carboxamide

1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-ethylsulfonyl-2-methylazetidine-2-carboxamide (PubChem CID 46943180) has the molecular formula C17H21ClN2O4S and a molecular weight of 384.89 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-ethylsulfonyl-2-methylazetidine-2-carboxamide.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-ethylsulfonyl-2-methylazetidine-2-carboxamide
PubChem CID46943180
Molecular FormulaC17H21ClN2O4S
Molecular Weight384.89 g/mol
Exact Mass384.09
IUPAC Name1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-ethylsulfonyl-2-methylazetidine-2-carboxamide
SMILESCCS(=O)(=O)NC(=O)C1(C)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H21ClN2O4S/c1-3-25(23,24)19-14(21)16(2)10-11-20(16)15(22)17(8-9-17)12-4-6-13(18)7-5-12/h4-7H,3,8-11H2,1-2H3,(H,19,21)
InChIKeyINHOOUCNJZHSHE-UHFFFAOYSA-N
XLogP1.83
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146609
[1-(4-chlorophenyl)cyclopropyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874970
1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride
CID 20724884
[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 50742286
[1-(4-chlorophenyl)cyclopropyl]-(8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 11618178
1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-ethyl-1,4-diazepan-5-one
CID 26274840
N-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 103307088
1-[2-(4-chlorophenyl)acetyl]-2-methylazetidine-2-carboxylic acid
CID 70559607
(3-tert-butyl-3-hydroxypyrrolidin-1-yl)-[1-(4-chlorophenyl)cyclopropyl]methanone
CID 66661540
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclopropane-1-carboxamide
CID 86985105
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-ethylsulfonyl-2-methylazetidine-2-carboxamide?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-ethylsulfonyl-2-methylazetidine-2-carboxamide (CID 46943180) is 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-ethylsulfonyl-2-methylazetidine-2-carboxamide.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-ethylsulfonyl-2-methylazetidine-2-carboxamide?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-ethylsulfonyl-2-methylazetidine-2-carboxamide is CCS(=O)(=O)NC(=O)C1(C)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-ethylsulfonyl-2-methylazetidine-2-carboxamide?
The InChIKey is INHOOUCNJZHSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4S/c1-3-25(23,24)19-14(21)16(2)10-11-20(16)15(22)17(8-9-17)12-4-6-13(18)7-5-12/h4-7H,3,8-11H2,1-2H3,(H,19,21).
What are the key properties of 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-ethylsulfonyl-2-methylazetidine-2-carboxamide?
1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-ethylsulfonyl-2-methylazetidine-2-carboxamide has a molecular weight of 384.89 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-ethylsulfonyl-2-methylazetidine-2-carboxamide is sourced from PubChem (CID 46943180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).