N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

C21H24N2O3S — CID 121239017

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESCOc1ccc(CCNC(=O)CC(c2ccsc2)n2cccc2)cc1OC
InChIInChI=1S/C21H24N2O3S/c1-25-19-6-5-16(13-20(19)26-2)7-9-22-21(24)14-18(17-8-12-27-15-17)23-10-3-4-11-23/h3-6,8,10-13,15,18H,7,9,14H2,1-2H3,(H,22,24)
InChIKeyRTLPAASVZHZAIS-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.91
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (PubChem CID 121239017) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
PubChem CID121239017
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESCOc1ccc(CCNC(=O)CC(c2ccsc2)n2cccc2)cc1OC
InChIInChI=1S/C21H24N2O3S/c1-25-19-6-5-16(13-20(19)26-2)7-9-22-21(24)14-18(17-8-12-27-15-17)23-10-3-4-11-23/h3-6,8,10-13,15,18H,7,9,14H2,1-2H3,(H,22,24)
InChIKeyRTLPAASVZHZAIS-UHFFFAOYSA-N
XLogP3.91
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)acetamide
CID 86264109
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 60835659
2-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)acetamide
CID 16931742
1-[(3,4-dimethoxyphenyl)methyl]-3-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]urea
CID 30606508
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(1R)-1-phenylethyl]butanediamide
CID 7301185
N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128962816
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128963487
3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 110297293
(3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434250
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (CID 121239017) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is COc1ccc(CCNC(=O)CC(c2ccsc2)n2cccc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The InChIKey is RTLPAASVZHZAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-25-19-6-5-16(13-20(19)26-2)7-9-22-21(24)14-18(17-8-12-27-15-17)23-10-3-4-11-23/h3-6,8,10-13,15,18H,7,9,14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide has a molecular weight of 384.50 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 121239017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).