N-(3-chloro-4-cyanophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide

C20H21ClN4O5S — CID 4968362

IUPACN-(3-chloro-4-cyanophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H21ClN4O5S/c1-29-18-5-4-15(11-19(18)31(27,28)25-6-8-30-9-7-25)23-13-20(26)24-16-3-2-14(12-22)17(21)10-16/h2-5,10-11,23H,6-9,13H2,1H3,(H,24,26)
InChIKeyKCBVPPDDIPRXIP-UHFFFAOYSA-N
MW464.93 g/mol
LogP2.29
Rot. Bonds7

About N-(3-chloro-4-cyanophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide

N-(3-chloro-4-cyanophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide (PubChem CID 4968362) has the molecular formula C20H21ClN4O5S and a molecular weight of 464.93 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide
PubChem CID4968362
Molecular FormulaC20H21ClN4O5S
Molecular Weight464.93 g/mol
Exact Mass464.09
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H21ClN4O5S/c1-29-18-5-4-15(11-19(18)31(27,28)25-6-8-30-9-7-25)23-13-20(26)24-16-3-2-14(12-22)17(21)10-16/h2-5,10-11,23H,6-9,13H2,1H3,(H,24,26)
InChIKeyKCBVPPDDIPRXIP-UHFFFAOYSA-N
XLogP2.29
TPSA120.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26438859
2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 4289049
2-(3,5-difluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 24562331
2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26417504
N-(4-chloro-2-fluorophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide
CID 4840852
N-(4-chloro-3-cyanophenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55480876
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4969625
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 8800294
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide
CID 119677486
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide (CID 4968362) is N-(3-chloro-4-cyanophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide is COc1ccc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide?
The InChIKey is KCBVPPDDIPRXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O5S/c1-29-18-5-4-15(11-19(18)31(27,28)25-6-8-30-9-7-25)23-13-20(26)24-16-3-2-14(12-22)17(21)10-16/h2-5,10-11,23H,6-9,13H2,1H3,(H,24,26).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide?
N-(3-chloro-4-cyanophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide has a molecular weight of 464.93 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide is sourced from PubChem (CID 4968362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).