N-[(3-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-sulfonamide

C14H18N2O2S2 — CID 43459044

IUPACN-[(3-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-sulfonamide
SMILESCCN(Cc1cccc(N)c1)S(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C14H18N2O2S2/c1-3-16(10-12-5-4-6-13(15)9-12)20(17,18)14-8-7-11(2)19-14/h4-9H,3,10,15H2,1-2H3
InChIKeyPFDQLVUDEJBUKE-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.85
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-sulfonamide

N-[(3-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-sulfonamide (PubChem CID 43459044) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-sulfonamide
PubChem CID43459044
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-[(3-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-sulfonamide
SMILESCCN(Cc1cccc(N)c1)S(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C14H18N2O2S2/c1-3-16(10-12-5-4-6-13(15)9-12)20(17,18)14-8-7-11(2)19-14/h4-9H,3,10,15H2,1-2H3
InChIKeyPFDQLVUDEJBUKE-UHFFFAOYSA-N
XLogP2.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413803
N-[(3-aminophenyl)methyl]-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911327
N-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide
CID 61296020
methyl N-[(3-aminophenyl)methyl-ethylsulfamoyl]carbamate
CID 114461560
N-(2-chloroethyl)-N-ethyl-5-methylthiophene-2-sulfonamide
CID 63397238
N-(cyanomethyl)-N-ethyl-5-methylthiophene-2-sulfonamide
CID 47813179
4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide
CID 43258809
5-bromo-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylthiophene-2-sulfonamide
CID 79999013
N-[(3-aminophenyl)methyl]-1-cyclopropyl-N-propylmethanesulfonamide
CID 64988060
2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 45297292
N-[(4-aminophenyl)methyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413800
N-[(3-aminophenyl)methyl]-3-bromo-N-propylthiophene-2-sulfonamide
CID 61457749

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-sulfonamide (CID 43459044) is N-[(3-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-sulfonamide is CCN(Cc1cccc(N)c1)S(=O)(=O)c1ccc(C)s1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-sulfonamide?
The InChIKey is PFDQLVUDEJBUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-3-16(10-12-5-4-6-13(15)9-12)20(17,18)14-8-7-11(2)19-14/h4-9H,3,10,15H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-sulfonamide?
N-[(3-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-sulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 43459044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).