N-(2-chloro-5-nitrophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)acetamide

C20H23ClN4O6S — CID 5033110

IUPACN-(2-chloro-5-nitrophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H23ClN4O6S/c1-31-18-8-5-14(11-19(18)32(29,30)24-9-3-2-4-10-24)22-13-20(26)23-17-12-15(25(27)28)6-7-16(17)21/h5-8,11-12,22H,2-4,9-10,13H2,1H3,(H,23,26)
InChIKeyXWLCADXOLGRTLU-UHFFFAOYSA-N
MW482.95 g/mol
LogP3.48
Rot. Bonds8

About N-(2-chloro-5-nitrophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)acetamide

N-(2-chloro-5-nitrophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)acetamide (PubChem CID 5033110) has the molecular formula C20H23ClN4O6S and a molecular weight of 482.95 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)acetamide
PubChem CID5033110
Molecular FormulaC20H23ClN4O6S
Molecular Weight482.95 g/mol
Exact Mass482.10
IUPAC NameN-(2-chloro-5-nitrophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H23ClN4O6S/c1-31-18-8-5-14(11-19(18)32(29,30)24-9-3-2-4-10-24)22-13-20(26)23-17-12-15(25(27)28)6-7-16(17)21/h5-8,11-12,22H,2-4,9-10,13H2,1H3,(H,23,26)
InChIKeyXWLCADXOLGRTLU-UHFFFAOYSA-N
XLogP3.48
TPSA130.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.95
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 24510824
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide
CID 4215827
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4227752
2-(2-methoxy-5-nitroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4854756
ethyl 3-[(4-methoxy-3-piperidin-1-ylsulfonylphenyl)carbamoyl]-5-nitrobenzoate
CID 26174256
N-(2,5-dichlorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
CID 55345481
4-chloro-N-(2-methoxy-5-nitrophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2099812
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 55568502
N-(2-methoxyphenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
CID 9100423
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-nitrobenzamide
CID 26065828

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)acetamide (CID 5033110) is N-(2-chloro-5-nitrophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)acetamide is COc1ccc(NCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)acetamide?
The InChIKey is XWLCADXOLGRTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O6S/c1-31-18-8-5-14(11-19(18)32(29,30)24-9-3-2-4-10-24)22-13-20(26)23-17-12-15(25(27)28)6-7-16(17)21/h5-8,11-12,22H,2-4,9-10,13H2,1H3,(H,23,26).
What are the key properties of N-(2-chloro-5-nitrophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)acetamide?
N-(2-chloro-5-nitrophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)acetamide has a molecular weight of 482.95 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 5033110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).