4-amino-3-[(5-ethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide

C14H19N3O2S2 — CID 106007379

IUPAC4-amino-3-[(5-ethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCCc1ccc(CNc2cc(S(=O)(=O)NC)ccc2N)s1
InChIInChI=1S/C14H19N3O2S2/c1-3-10-4-5-11(20-10)9-17-14-8-12(6-7-13(14)15)21(18,19)16-2/h4-8,16-17H,3,9,15H2,1-2H3
InChIKeyZMSVVFZMMUAZLE-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.41
Rot. Bonds6

About 4-amino-3-[(5-ethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide

4-amino-3-[(5-ethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 106007379) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-amino-3-[(5-ethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[(5-ethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
PubChem CID106007379
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name4-amino-3-[(5-ethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCCc1ccc(CNc2cc(S(=O)(=O)NC)ccc2N)s1
InChIInChI=1S/C14H19N3O2S2/c1-3-10-4-5-11(20-10)9-17-14-8-12(6-7-13(14)15)21(18,19)16-2/h4-8,16-17H,3,9,15H2,1-2H3
InChIKeyZMSVVFZMMUAZLE-UHFFFAOYSA-N
XLogP2.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide
CID 82900736
4-amino-N-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide
CID 106393414
4-amino-3-[(2-bromophenyl)methylamino]-N-methylbenzenesulfonamide
CID 82900167
4-amino-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 82898098
4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 82901368
2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006795
4-amino-N-ethyl-3-(thiophen-2-ylmethylamino)benzenesulfonamide
CID 82899224
4-amino-3-(4-ethylanilino)-N-methylbenzenesulfonamide
CID 82899653
4-amino-N-methyl-3-(3-sulfamoylpropylamino)benzenesulfonamide
CID 82900018
4-amino-3-(butan-2-ylamino)-N-methylbenzenesulfonamide
CID 82899814
3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide
CID 106166710
4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide
CID 82898084

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(5-ethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-[(5-ethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide (CID 106007379) is 4-amino-3-[(5-ethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-[(5-ethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-[(5-ethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide is CCc1ccc(CNc2cc(S(=O)(=O)NC)ccc2N)s1.
What is the InChIKey of 4-amino-3-[(5-ethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is ZMSVVFZMMUAZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-3-10-4-5-11(20-10)9-17-14-8-12(6-7-13(14)15)21(18,19)16-2/h4-8,16-17H,3,9,15H2,1-2H3.
What are the key properties of 4-amino-3-[(5-ethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide?
4-amino-3-[(5-ethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(5-ethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 106007379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).