3-methyl-2-[1-[3-(sulfamoylamino)anilino]ethyl]thiophene

C13H17N3O2S2 — CID 63992671

IUPAC3-methyl-2-[1-[3-(sulfamoylamino)anilino]ethyl]thiophene
SMILESCc1ccsc1C(C)Nc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C13H17N3O2S2/c1-9-6-7-19-13(9)10(2)15-11-4-3-5-12(8-11)16-20(14,17)18/h3-8,10,15-16H,1-2H3,(H2,14,17,18)
InChIKeyJENKYFBHFGMJTQ-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.85
Rot. Bonds5

About 3-methyl-2-[1-[3-(sulfamoylamino)anilino]ethyl]thiophene

3-methyl-2-[1-[3-(sulfamoylamino)anilino]ethyl]thiophene (PubChem CID 63992671) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-methyl-2-[1-[3-(sulfamoylamino)anilino]ethyl]thiophene.

Molecular Properties

Compound Name3-methyl-2-[1-[3-(sulfamoylamino)anilino]ethyl]thiophene
PubChem CID63992671
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name3-methyl-2-[1-[3-(sulfamoylamino)anilino]ethyl]thiophene
SMILESCc1ccsc1C(C)Nc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C13H17N3O2S2/c1-9-6-7-19-13(9)10(2)15-11-4-3-5-12(8-11)16-20(14,17)18/h3-8,10,15-16H,1-2H3,(H2,14,17,18)
InChIKeyJENKYFBHFGMJTQ-UHFFFAOYSA-N
XLogP2.85
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide
CID 63992234
2-methyl-4-[1-[3-(sulfamoylamino)anilino]ethyl]-1,3-thiazole
CID 43742065
1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene
CID 43742050
3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993267
N-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide
CID 63993060
4-[1-(3-methylthiophen-2-yl)ethylamino]benzamide
CID 63991012
1-(heptan-4-ylamino)-3-(sulfamoylamino)benzene
CID 43742023
1-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 63992626
N-[1-(3-methylthiophen-2-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline
CID 63991077
3-chloro-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63992819
N-[1-(3-methylthiophen-2-yl)ethyl]-1,3-benzodioxol-5-amine
CID 63992421
3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide
CID 61062460

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[1-[3-(sulfamoylamino)anilino]ethyl]thiophene?
The IUPAC name of 3-methyl-2-[1-[3-(sulfamoylamino)anilino]ethyl]thiophene (CID 63992671) is 3-methyl-2-[1-[3-(sulfamoylamino)anilino]ethyl]thiophene.
What is the SMILES notation for 3-methyl-2-[1-[3-(sulfamoylamino)anilino]ethyl]thiophene?
The canonical SMILES for 3-methyl-2-[1-[3-(sulfamoylamino)anilino]ethyl]thiophene is Cc1ccsc1C(C)Nc1cccc(NS(N)(=O)=O)c1.
What is the InChIKey of 3-methyl-2-[1-[3-(sulfamoylamino)anilino]ethyl]thiophene?
The InChIKey is JENKYFBHFGMJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-9-6-7-19-13(9)10(2)15-11-4-3-5-12(8-11)16-20(14,17)18/h3-8,10,15-16H,1-2H3,(H2,14,17,18).
What are the key properties of 3-methyl-2-[1-[3-(sulfamoylamino)anilino]ethyl]thiophene?
3-methyl-2-[1-[3-(sulfamoylamino)anilino]ethyl]thiophene has a molecular weight of 311.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[1-[3-(sulfamoylamino)anilino]ethyl]thiophene is sourced from PubChem (CID 63992671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).