N-[(5-benzoylthiophen-2-yl)methyl]-5-ethyl-2-methoxybenzenesulfonamide

C21H21NO4S2 — CID 90613047

IUPACN-[(5-benzoylthiophen-2-yl)methyl]-5-ethyl-2-methoxybenzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)NCc2ccc(C(=O)c3ccccc3)s2)c1
InChIInChI=1S/C21H21NO4S2/c1-3-15-9-11-18(26-2)20(13-15)28(24,25)22-14-17-10-12-19(27-17)21(23)16-7-5-4-6-8-16/h4-13,22H,3,14H2,1-2H3
InChIKeyFJYDPWFPALIUIH-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.03
Rot. Bonds8

About N-[(5-benzoylthiophen-2-yl)methyl]-5-ethyl-2-methoxybenzenesulfonamide

N-[(5-benzoylthiophen-2-yl)methyl]-5-ethyl-2-methoxybenzenesulfonamide (PubChem CID 90613047) has the molecular formula C21H21NO4S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[(5-benzoylthiophen-2-yl)methyl]-5-ethyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-benzoylthiophen-2-yl)methyl]-5-ethyl-2-methoxybenzenesulfonamide
PubChem CID90613047
Molecular FormulaC21H21NO4S2
Molecular Weight415.54 g/mol
Exact Mass415.09
IUPAC NameN-[(5-benzoylthiophen-2-yl)methyl]-5-ethyl-2-methoxybenzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)NCc2ccc(C(=O)c3ccccc3)s2)c1
InChIInChI=1S/C21H21NO4S2/c1-3-15-9-11-18(26-2)20(13-15)28(24,25)22-14-17-10-12-19(27-17)21(23)16-7-5-4-6-8-16/h4-13,22H,3,14H2,1-2H3
InChIKeyFJYDPWFPALIUIH-UHFFFAOYSA-N
XLogP4.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868
5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267842
5-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 90612336
N-[(5-benzoylthiophen-2-yl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90612947
5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 110757861
N-[(5-benzoylthiophen-2-yl)methyl]-2-nitrobenzenesulfonamide
CID 90613030
3-(benzylsulfamoyl)-4-methoxybenzoic acid
CID 693909
methyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate
CID 90612849
N-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 90612901
4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 90612653
4-methoxy-2-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 90612682
4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 43242507

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzoylthiophen-2-yl)methyl]-5-ethyl-2-methoxybenzenesulfonamide?
The IUPAC name of N-[(5-benzoylthiophen-2-yl)methyl]-5-ethyl-2-methoxybenzenesulfonamide (CID 90613047) is N-[(5-benzoylthiophen-2-yl)methyl]-5-ethyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(5-benzoylthiophen-2-yl)methyl]-5-ethyl-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[(5-benzoylthiophen-2-yl)methyl]-5-ethyl-2-methoxybenzenesulfonamide is CCc1ccc(OC)c(S(=O)(=O)NCc2ccc(C(=O)c3ccccc3)s2)c1.
What is the InChIKey of N-[(5-benzoylthiophen-2-yl)methyl]-5-ethyl-2-methoxybenzenesulfonamide?
The InChIKey is FJYDPWFPALIUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S2/c1-3-15-9-11-18(26-2)20(13-15)28(24,25)22-14-17-10-12-19(27-17)21(23)16-7-5-4-6-8-16/h4-13,22H,3,14H2,1-2H3.
What are the key properties of N-[(5-benzoylthiophen-2-yl)methyl]-5-ethyl-2-methoxybenzenesulfonamide?
N-[(5-benzoylthiophen-2-yl)methyl]-5-ethyl-2-methoxybenzenesulfonamide has a molecular weight of 415.54 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzoylthiophen-2-yl)methyl]-5-ethyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 90613047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).