N-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

C18H17NO2S2 — CID 17013288

IUPACN-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESCCOc1ccc(N(Cc2cccs2)C(=O)c2cccs2)cc1
InChIInChI=1S/C18H17NO2S2/c1-2-21-15-9-7-14(8-10-15)19(13-16-5-3-11-22-16)18(20)17-6-4-12-23-17/h3-12H,2,13H2,1H3
InChIKeyJIOZFHRLSWODFB-UHFFFAOYSA-N
MW343.47 g/mol
LogP5.06
Rot. Bonds6

About N-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

N-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 17013288) has the molecular formula C18H17NO2S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
PubChem CID17013288
Molecular FormulaC18H17NO2S2
Molecular Weight343.47 g/mol
Exact Mass343.07
IUPAC NameN-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESCCOc1ccc(N(Cc2cccs2)C(=O)c2cccs2)cc1
InChIInChI=1S/C18H17NO2S2/c1-2-21-15-9-7-14(8-10-15)19(13-16-5-3-11-22-16)18(20)17-6-4-12-23-17/h3-12H,2,13H2,1H3
InChIKeyJIOZFHRLSWODFB-UHFFFAOYSA-N
XLogP5.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 17010905
N-[2-(N-acetyl-4-ethoxyanilino)ethyl]thiophene-2-carboxamide
CID 113060835
2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 84601120
N-(benzenesulfonyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 19210466
ethyl N-phenyl-N-(thiophen-2-ylmethyl)carbamate
CID 91149975
5-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 86916933
4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 8801727
N-(4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 134008525
1-(4-ethoxyphenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 126061913
N-(3,4-dimethylphenyl)-4-prop-2-enoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17014002
2-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17172905
ethyl 4-[(2,6-dichlorophenyl)methyl-(thiophene-2-carbonyl)amino]benzoate
CID 22780012

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (CID 17013288) is N-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is CCOc1ccc(N(Cc2cccs2)C(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is JIOZFHRLSWODFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S2/c1-2-21-15-9-7-14(8-10-15)19(13-16-5-3-11-22-16)18(20)17-6-4-12-23-17/h3-12H,2,13H2,1H3.
What are the key properties of N-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
N-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 17013288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).