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

C21H26N4O6S — CID 26438465

IUPACN-(4-methoxy-2-nitrophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
SMILESCOc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C21H26N4O6S/c1-15-6-8-17(32(29,30)24-10-4-3-5-11-24)13-19(15)22-14-21(26)23-18-9-7-16(31-2)12-20(18)25(27)28/h6-9,12-13,22H,3-5,10-11,14H2,1-2H3,(H,23,26)
InChIKeyOHWRTCFKYBSMDK-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.14
Rot. Bonds8

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

N-(4-methoxy-2-nitrophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide (PubChem CID 26438465) has the molecular formula C21H26N4O6S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
PubChem CID26438465
Molecular FormulaC21H26N4O6S
Molecular Weight462.53 g/mol
Exact Mass462.16
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
SMILESCOc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C21H26N4O6S/c1-15-6-8-17(32(29,30)24-10-4-3-5-11-24)13-19(15)22-14-21(26)23-18-9-7-16(31-2)12-20(18)25(27)28/h6-9,12-13,22H,3-5,10-11,14H2,1-2H3,(H,23,26)
InChIKeyOHWRTCFKYBSMDK-UHFFFAOYSA-N
XLogP3.14
TPSA130.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxy-2-nitrophenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 3953912
2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4796983
2-(azocan-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 51170949
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide
CID 14226695
2,4-dimethoxy-N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)aniline
CID 71903822
2-(2,3-dimethylanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080862
N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 26438440
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 24510824
2-[3-(azepan-1-ylsulfonyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 42996635
2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 78821635
N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 7939475
4-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]-2-nitroaniline
CID 9111209

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide (CID 26438465) is N-(4-methoxy-2-nitrophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide is COc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide?
The InChIKey is OHWRTCFKYBSMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O6S/c1-15-6-8-17(32(29,30)24-10-4-3-5-11-24)13-19(15)22-14-21(26)23-18-9-7-16(31-2)12-20(18)25(27)28/h6-9,12-13,22H,3-5,10-11,14H2,1-2H3,(H,23,26).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide?
N-(4-methoxy-2-nitrophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide has a molecular weight of 462.53 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 26438465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).