N-(2-methoxyethyl)-4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide

C15H18N2O5S2 — CID 39952752

IUPACN-(2-methoxyethyl)-4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOCCN(Cc1cccs1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C15H18N2O5S2/c1-12-5-6-14(10-15(12)17(18)19)24(20,21)16(7-8-22-2)11-13-4-3-9-23-13/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyAFYKUPJUDQJDCM-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.80
Rot. Bonds8

About N-(2-methoxyethyl)-4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide

N-(2-methoxyethyl)-4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 39952752) has the molecular formula C15H18N2O5S2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID39952752
Molecular FormulaC15H18N2O5S2
Molecular Weight370.45 g/mol
Exact Mass370.07
IUPAC NameN-(2-methoxyethyl)-4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOCCN(Cc1cccs1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C15H18N2O5S2/c1-12-5-6-14(10-15(12)17(18)19)24(20,21)16(7-8-22-2)11-13-4-3-9-23-13/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyAFYKUPJUDQJDCM-UHFFFAOYSA-N
XLogP2.80
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2-methoxyethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 31771604
2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
CID 61040679
N,N-diethyl-4-[methyl(thiophen-2-ylmethyl)amino]-3-nitrobenzenesulfonamide
CID 9113790
4-methyl-3-nitro-N,N-dipropylbenzenesulfonamide
CID 2836740
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methyl-3-nitrobenzenesulfonamide
CID 9301949
2-[(4-chloro-3-nitrophenyl)sulfonyl-(3-methoxypropyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4259658
4-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43019357
N-ethyl-N-(2-methoxyethyl)-4-(methylamino)-3-nitrobenzenesulfonamide
CID 62158129
N-ethyl-2-methoxy-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 39633177
N-(2-methoxyethyl)-4-methyl-3-nitrobenzenesulfonamide
CID 5189780
4-methoxy-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 17438424
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide
CID 90582794

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 39952752) is N-(2-methoxyethyl)-4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide is COCCN(Cc1cccs1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is AFYKUPJUDQJDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S2/c1-12-5-6-14(10-15(12)17(18)19)24(20,21)16(7-8-22-2)11-13-4-3-9-23-13/h3-6,9-10H,7-8,11H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
N-(2-methoxyethyl)-4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 370.45 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 39952752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).