N-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide

C14H18N2O2S2 — CID 63992234

IUPACN-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide
SMILESCc1ccsc1C(C)Nc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C14H18N2O2S2/c1-10-7-8-19-14(10)11(2)15-12-5-4-6-13(9-12)16-20(3,17)18/h4-9,11,15-16H,1-3H3
InChIKeyYBMNMJRWCKVXDN-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.60
Rot. Bonds5

About N-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide

N-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide (PubChem CID 63992234) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide
PubChem CID63992234
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide
SMILESCc1ccsc1C(C)Nc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C14H18N2O2S2/c1-10-7-8-19-14(10)11(2)15-12-5-4-6-13(9-12)16-20(3,17)18/h4-9,11,15-16H,1-3H3
InChIKeyYBMNMJRWCKVXDN-UHFFFAOYSA-N
XLogP3.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[1-[3-(sulfamoylamino)anilino]ethyl]thiophene
CID 63992671
N-[3-(1-phenylethylamino)phenyl]methanesulfonamide
CID 43208081
N-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide
CID 115928799
3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993267
N-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide
CID 63993060
N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide
CID 43109245
N-[3-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 34284543
N-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 34284551
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
4-[1-(3-methylthiophen-2-yl)ethylamino]benzamide
CID 63991012

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide (CID 63992234) is N-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide is Cc1ccsc1C(C)Nc1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide?
The InChIKey is YBMNMJRWCKVXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-10-7-8-19-14(10)11(2)15-12-5-4-6-13(9-12)16-20(3,17)18/h4-9,11,15-16H,1-3H3.
What are the key properties of N-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide?
N-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 63992234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).