N-[4-(diethylamino)phenyl]-3-ethylthiophene-2-carboxamide

C17H22N2OS — CID 60564330

IUPACN-[4-(diethylamino)phenyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C17H22N2OS/c1-4-13-11-12-21-16(13)17(20)18-14-7-9-15(10-8-14)19(5-2)6-3/h7-12H,4-6H2,1-3H3,(H,18,20)
InChIKeyXPUDREFAKRYYBI-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.41
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-3-ethylthiophene-2-carboxamide

N-[4-(diethylamino)phenyl]-3-ethylthiophene-2-carboxamide (PubChem CID 60564330) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-ethylthiophene-2-carboxamide
PubChem CID60564330
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[4-(diethylamino)phenyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C17H22N2OS/c1-4-13-11-12-21-16(13)17(20)18-14-7-9-15(10-8-14)19(5-2)6-3/h7-12H,4-6H2,1-3H3,(H,18,20)
InChIKeyXPUDREFAKRYYBI-UHFFFAOYSA-N
XLogP4.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(bromomethyl)phenyl]-3-ethylthiophene-2-carboxamide
CID 114310919
N-(4-carbamothioylphenyl)-3-ethylthiophene-2-carboxamide
CID 79976248
N-(3-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide
CID 79976267
N-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide
CID 79985935
N-[4-(dimethylamino)-3-methylphenyl]-3-ethylthiophene-2-carboxamide
CID 60566814
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
3-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)thiophene-2-carboxamide
CID 20735470
3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide
CID 61089660
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 1019302
3-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 47366067
5-bromo-N-[4-(diethylamino)phenyl]thiophene-2-carboxamide
CID 27229207

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-ethylthiophene-2-carboxamide (CID 60564330) is N-[4-(diethylamino)phenyl]-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)Nc1ccc(N(CC)CC)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-ethylthiophene-2-carboxamide?
The InChIKey is XPUDREFAKRYYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-4-13-11-12-21-16(13)17(20)18-14-7-9-15(10-8-14)19(5-2)6-3/h7-12H,4-6H2,1-3H3,(H,18,20).
What are the key properties of N-[4-(diethylamino)phenyl]-3-ethylthiophene-2-carboxamide?
N-[4-(diethylamino)phenyl]-3-ethylthiophene-2-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 60564330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).