N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide

C21H26N2O4S — CID 9160026

IUPACN-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide
SMILESCOc1ccc(S(=O)(=O)[C@@H](CNC(=O)C2CC2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O4S/c1-23(2)17-8-6-15(7-9-17)20(14-22-21(24)16-4-5-16)28(25,26)19-12-10-18(27-3)11-13-19/h6-13,16,20H,4-5,14H2,1-3H3,(H,22,24)/t20-/m0/s1
InChIKeyRHEHTLPDKDCRBJ-FQEVSTJZSA-N
MW402.52 g/mol
LogP2.80
Rot. Bonds8

About N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide

N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide (PubChem CID 9160026) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide
PubChem CID9160026
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide
SMILESCOc1ccc(S(=O)(=O)[C@@H](CNC(=O)C2CC2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O4S/c1-23(2)17-8-6-15(7-9-17)20(14-22-21(24)16-4-5-16)28(25,26)19-12-10-18(27-3)11-13-19/h6-13,16,20H,4-5,14H2,1-3H3,(H,22,24)/t20-/m0/s1
InChIKeyRHEHTLPDKDCRBJ-FQEVSTJZSA-N
XLogP2.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]-N-methyloxamide
CID 9160093
N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 9159292
N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
CID 9182921
N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide
CID 110315102
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]cyclopropanecarboxamide
CID 26792423
N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]oxolane-2-carboxamide
CID 110315083
N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]acetamide
CID 9159203
N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-N'-cyclopropyloxamide
CID 9159516
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 17447079
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide
CID 9184612
3-chloro-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfonylethyl]propanamide
CID 9159629
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide
CID 9157831

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide (CID 9160026) is N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide is COc1ccc(S(=O)(=O)[C@@H](CNC(=O)C2CC2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide?
The InChIKey is RHEHTLPDKDCRBJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-23(2)17-8-6-15(7-9-17)20(14-22-21(24)16-4-5-16)28(25,26)19-12-10-18(27-3)11-13-19/h6-13,16,20H,4-5,14H2,1-3H3,(H,22,24)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide?
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide is sourced from PubChem (CID 9160026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).