N-[2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide

C15H21ClN2O5S — CID 113072076

IUPACN-[2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
SMILESCOc1cc(N(CCNC(=O)C2CC2)S(C)(=O)=O)c(OC)cc1Cl
InChIInChI=1S/C15H21ClN2O5S/c1-22-13-9-12(14(23-2)8-11(13)16)18(24(3,20)21)7-6-17-15(19)10-4-5-10/h8-10H,4-7H2,1-3H3,(H,17,19)
InChIKeyXDPFPQVFVSFVAL-UHFFFAOYSA-N
MW376.86 g/mol
LogP1.65
Rot. Bonds8

About N-[2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide

N-[2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide (PubChem CID 113072076) has the molecular formula C15H21ClN2O5S and a molecular weight of 376.86 g/mol. Its IUPAC name is N-[2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
PubChem CID113072076
Molecular FormulaC15H21ClN2O5S
Molecular Weight376.86 g/mol
Exact Mass376.09
IUPAC NameN-[2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
SMILESCOc1cc(N(CCNC(=O)C2CC2)S(C)(=O)=O)c(OC)cc1Cl
InChIInChI=1S/C15H21ClN2O5S/c1-22-13-9-12(14(23-2)8-11(13)16)18(24(3,20)21)7-6-17-15(19)10-4-5-10/h8-10H,4-7H2,1-3H3,(H,17,19)
InChIKeyXDPFPQVFVSFVAL-UHFFFAOYSA-N
XLogP1.65
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113072050
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069805
2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 53278773
2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-pentylacetamide
CID 113157009
N-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]ethyl]cyclobutanecarboxamide
CID 113071268
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113069578
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide
CID 113070461
N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]acetamide
CID 113070248
N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113069505
4-N-(4-chloro-2,5-dimethoxyphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145385
N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide
CID 113070738
N-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
CID 113070286

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide (CID 113072076) is N-[2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide is COc1cc(N(CCNC(=O)C2CC2)S(C)(=O)=O)c(OC)cc1Cl.
What is the InChIKey of N-[2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide?
The InChIKey is XDPFPQVFVSFVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O5S/c1-22-13-9-12(14(23-2)8-11(13)16)18(24(3,20)21)7-6-17-15(19)10-4-5-10/h8-10H,4-7H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide?
N-[2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide has a molecular weight of 376.86 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113072076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).