5-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide

C19H24N2O4S — CID 24637076

IUPAC5-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(NC(C)=O)s2)cc1OCC
InChIInChI=1S/C19H24N2O4S/c1-4-24-15-7-6-14(12-16(15)25-5-2)10-11-20-19(23)17-8-9-18(26-17)21-13(3)22/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyVTSYOJDPEVLDCI-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.48
Rot. Bonds9

About 5-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide

5-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 24637076) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
PubChem CID24637076
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name5-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(NC(C)=O)s2)cc1OCC
InChIInChI=1S/C19H24N2O4S/c1-4-24-15-7-6-14(12-16(15)25-5-2)10-11-20-19(23)17-8-9-18(26-17)21-13(3)22/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyVTSYOJDPEVLDCI-UHFFFAOYSA-N
XLogP3.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 26851346
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 123864348
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 78778592
4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119264756
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
5-(cyclopropanecarbonylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 24607728
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide
CID 119943708
2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 43244618
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea
CID 108909248
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea
CID 108893630

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide (CID 24637076) is 5-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide is CCOc1ccc(CCNC(=O)c2ccc(NC(C)=O)s2)cc1OCC.
What is the InChIKey of 5-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is VTSYOJDPEVLDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-4-24-15-7-6-14(12-16(15)25-5-2)10-11-20-19(23)17-8-9-18(26-17)21-13(3)22/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 5-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide?
5-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 24637076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).