4-amino-5-methyl-N-(3-phenylmethoxypropyl)thiophene-2-carboxamide

C16H20N2O2S — CID 61111226

IUPAC4-amino-5-methyl-N-(3-phenylmethoxypropyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCCOCc2ccccc2)cc1N
InChIInChI=1S/C16H20N2O2S/c1-12-14(17)10-15(21-12)16(19)18-8-5-9-20-11-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11,17H2,1H3,(H,18,19)
InChIKeyPUYZKZATGNIESQ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.98
Rot. Bonds7

About 4-amino-5-methyl-N-(3-phenylmethoxypropyl)thiophene-2-carboxamide

4-amino-5-methyl-N-(3-phenylmethoxypropyl)thiophene-2-carboxamide (PubChem CID 61111226) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(3-phenylmethoxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(3-phenylmethoxypropyl)thiophene-2-carboxamide
PubChem CID61111226
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-amino-5-methyl-N-(3-phenylmethoxypropyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCCOCc2ccccc2)cc1N
InChIInChI=1S/C16H20N2O2S/c1-12-14(17)10-15(21-12)16(19)18-8-5-9-20-11-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11,17H2,1H3,(H,18,19)
InChIKeyPUYZKZATGNIESQ-UHFFFAOYSA-N
XLogP2.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-phenylmethoxypropyl)benzamide
CID 43579724
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63982394
4-amino-N-[2-(3-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61113254
4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 61104453
1-methyl-3-(3-phenylmethoxypropyl)urea
CID 47127496
4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61117048
4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 61090653
3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide
CID 62670890
2-amino-2-methyl-N-(4-phenylmethoxybutyl)propanamide
CID 119311846
4-amino-N-[2-(furan-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 61140224
4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide
CID 64929974

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(3-phenylmethoxypropyl)thiophene-2-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(3-phenylmethoxypropyl)thiophene-2-carboxamide (CID 61111226) is 4-amino-5-methyl-N-(3-phenylmethoxypropyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(3-phenylmethoxypropyl)thiophene-2-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(3-phenylmethoxypropyl)thiophene-2-carboxamide is Cc1sc(C(=O)NCCCOCc2ccccc2)cc1N.
What is the InChIKey of 4-amino-5-methyl-N-(3-phenylmethoxypropyl)thiophene-2-carboxamide?
The InChIKey is PUYZKZATGNIESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-14(17)10-15(21-12)16(19)18-8-5-9-20-11-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-5-methyl-N-(3-phenylmethoxypropyl)thiophene-2-carboxamide?
4-amino-5-methyl-N-(3-phenylmethoxypropyl)thiophene-2-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(3-phenylmethoxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 61111226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).