N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-nitrothiophene-2-carboxamide

C16H19N3O6S2 — CID 4878100

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-nitrothiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc([N+](=O)[O-])s2)c1
InChIInChI=1S/C16H19N3O6S2/c1-4-18(5-2)27(23,24)11-6-7-13(25-3)12(10-11)17-16(20)14-8-9-15(26-14)19(21)22/h6-10H,4-5H2,1-3H3,(H,17,20)
InChIKeyHZMOELQGYASCSI-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.95
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-nitrothiophene-2-carboxamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-nitrothiophene-2-carboxamide (PubChem CID 4878100) has the molecular formula C16H19N3O6S2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-nitrothiophene-2-carboxamide
PubChem CID4878100
Molecular FormulaC16H19N3O6S2
Molecular Weight413.48 g/mol
Exact Mass413.07
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-nitrothiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc([N+](=O)[O-])s2)c1
InChIInChI=1S/C16H19N3O6S2/c1-4-18(5-2)27(23,24)11-6-7-13(25-3)12(10-11)17-16(20)14-8-9-15(26-14)19(21)22/h6-10H,4-5H2,1-3H3,(H,17,20)
InChIKeyHZMOELQGYASCSI-UHFFFAOYSA-N
XLogP2.95
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
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-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4,5-dimethylthiophene-2-carboxamide
CID 31509802
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide
CID 4802800
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
CID 26901201
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
(E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 6043889
3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea
CID 17257281
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide
CID 26901213
N-(4-methoxynaphthalen-1-yl)-5-nitrothiophene-2-carboxamide
CID 2318964
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(2-nitroanilino)propanamide
CID 16962374
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dimethylbenzamide
CID 9467095

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-nitrothiophene-2-carboxamide (CID 4878100) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-nitrothiophene-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc([N+](=O)[O-])s2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-nitrothiophene-2-carboxamide?
The InChIKey is HZMOELQGYASCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6S2/c1-4-18(5-2)27(23,24)11-6-7-13(25-3)12(10-11)17-16(20)14-8-9-15(26-14)19(21)22/h6-10H,4-5H2,1-3H3,(H,17,20).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-nitrothiophene-2-carboxamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-nitrothiophene-2-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 4878100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).