N-ethyl-N-(2-formyl-4,5-dimethyl-1H-indol-7-yl)thiophene-2-sulfonamide

C17H18N2O3S2 — CID 89145708

IUPACN-ethyl-N-(2-formyl-4,5-dimethyl-1H-indol-7-yl)thiophene-2-sulfonamide
SMILESCCN(c1cc(C)c(C)c2cc(C=O)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H18N2O3S2/c1-4-19(24(21,22)16-6-5-7-23-16)15-8-11(2)12(3)14-9-13(10-20)18-17(14)15/h5-10,18H,4H2,1-3H3
InChIKeyJWYBXWRAPDHWTE-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.87
Rot. Bonds5

About N-ethyl-N-(2-formyl-4,5-dimethyl-1H-indol-7-yl)thiophene-2-sulfonamide

N-ethyl-N-(2-formyl-4,5-dimethyl-1H-indol-7-yl)thiophene-2-sulfonamide (PubChem CID 89145708) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-ethyl-N-(2-formyl-4,5-dimethyl-1H-indol-7-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-formyl-4,5-dimethyl-1H-indol-7-yl)thiophene-2-sulfonamide
PubChem CID89145708
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC NameN-ethyl-N-(2-formyl-4,5-dimethyl-1H-indol-7-yl)thiophene-2-sulfonamide
SMILESCCN(c1cc(C)c(C)c2cc(C=O)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H18N2O3S2/c1-4-19(24(21,22)16-6-5-7-23-16)15-8-11(2)12(3)14-9-13(10-20)18-17(14)15/h5-10,18H,4H2,1-3H3
InChIKeyJWYBXWRAPDHWTE-UHFFFAOYSA-N
XLogP3.87
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 100550599
N-[2-[5-(chloromethyl)-1,3-thiazol-2-yl]-4-methyl-1H-indol-7-yl]-N-ethylthiophene-2-sulfonamide
CID 59135733
N-(2-aminophenyl)-N-ethylthiophene-2-sulfonamide
CID 62102311
4,5-dimethyl-7-(thiophen-2-ylsulfanylamino)-1H-indole-2-carbaldehyde
CID 143310737
3-amino-4-[ethyl(thiophen-2-ylsulfonyl)amino]benzoic acid
CID 63119138
N-(2-methylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100547015
N-[2-[5-[(4-acetylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1H-indol-7-yl]-N-ethylthiophene-2-sulfonamide
CID 59135782
N-ethyl-N-methylthiophene-2-sulfonamide;hydrochloride
CID 130616398
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethylthiophene-2-sulfonamide
CID 100550027
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-sulfonamide
CID 100550390
N-(3-amino-4-methoxyphenyl)-N-ethylthiophene-2-sulfonamide
CID 39452560
N-(4-bromo-3-chlorophenyl)-N-ethylthiophene-2-sulfonamide
CID 100551123

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-formyl-4,5-dimethyl-1H-indol-7-yl)thiophene-2-sulfonamide?
The IUPAC name of N-ethyl-N-(2-formyl-4,5-dimethyl-1H-indol-7-yl)thiophene-2-sulfonamide (CID 89145708) is N-ethyl-N-(2-formyl-4,5-dimethyl-1H-indol-7-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-formyl-4,5-dimethyl-1H-indol-7-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-formyl-4,5-dimethyl-1H-indol-7-yl)thiophene-2-sulfonamide is CCN(c1cc(C)c(C)c2cc(C=O)[nH]c12)S(=O)(=O)c1cccs1.
What is the InChIKey of N-ethyl-N-(2-formyl-4,5-dimethyl-1H-indol-7-yl)thiophene-2-sulfonamide?
The InChIKey is JWYBXWRAPDHWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-4-19(24(21,22)16-6-5-7-23-16)15-8-11(2)12(3)14-9-13(10-20)18-17(14)15/h5-10,18H,4H2,1-3H3.
What are the key properties of N-ethyl-N-(2-formyl-4,5-dimethyl-1H-indol-7-yl)thiophene-2-sulfonamide?
N-ethyl-N-(2-formyl-4,5-dimethyl-1H-indol-7-yl)thiophene-2-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-formyl-4,5-dimethyl-1H-indol-7-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 89145708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).