5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide

C15H17N3O2S — CID 43106636

IUPAC5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide
SMILESCc1ccc(C(C)Nc2cc(C(N)=O)cc(C(N)=O)c2)s1
InChIInChI=1S/C15H17N3O2S/c1-8-3-4-13(21-8)9(2)18-12-6-10(14(16)19)5-11(7-12)15(17)20/h3-7,9,18H,1-2H3,(H2,16,19)(H2,17,20)
InChIKeyKVCSLWSFHDFZKO-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.43
Rot. Bonds5

About 5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide

5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide (PubChem CID 43106636) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide
PubChem CID43106636
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide
SMILESCc1ccc(C(C)Nc2cc(C(N)=O)cc(C(N)=O)c2)s1
InChIInChI=1S/C15H17N3O2S/c1-8-3-4-13(21-8)9(2)18-12-6-10(14(16)19)5-11(7-12)15(17)20/h3-7,9,18H,1-2H3,(H2,16,19)(H2,17,20)
InChIKeyKVCSLWSFHDFZKO-UHFFFAOYSA-N
XLogP2.43
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-[1-(5-methylthiophen-2-yl)ethylamino]benzamide
CID 43705343
N-ethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzamide
CID 43680749
4-[1-(5-methylthiophen-2-yl)ethylamino]-3-nitrobenzamide
CID 61362807
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide
CID 43711136
1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea
CID 43744393
4-methyl-1-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,3-diamine
CID 62911996
3-fluoro-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]benzamide
CID 61474435
4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43194697
3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43196418
N-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide
CID 60932015
N,N-dimethyl-4-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxamide
CID 61474383

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide?
The IUPAC name of 5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide (CID 43106636) is 5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide is Cc1ccc(C(C)Nc2cc(C(N)=O)cc(C(N)=O)c2)s1.
What is the InChIKey of 5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide?
The InChIKey is KVCSLWSFHDFZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-8-3-4-13(21-8)9(2)18-12-6-10(14(16)19)5-11(7-12)15(17)20/h3-7,9,18H,1-2H3,(H2,16,19)(H2,17,20).
What are the key properties of 5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide?
5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 43106636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).