N-[(2-aminophenyl)methyl]-3-methoxy-N-propan-2-ylthiophene-2-carboxamide

C16H20N2O2S — CID 81116677

IUPACN-[(2-aminophenyl)methyl]-3-methoxy-N-propan-2-ylthiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(Cc1ccccc1N)C(C)C
InChIInChI=1S/C16H20N2O2S/c1-11(2)18(10-12-6-4-5-7-13(12)17)16(19)15-14(20-3)8-9-21-15/h4-9,11H,10,17H2,1-3H3
InChIKeyHCMAMJYXZCOVPK-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.39
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-3-methoxy-N-propan-2-ylthiophene-2-carboxamide

N-[(2-aminophenyl)methyl]-3-methoxy-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 81116677) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-3-methoxy-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-3-methoxy-N-propan-2-ylthiophene-2-carboxamide
PubChem CID81116677
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[(2-aminophenyl)methyl]-3-methoxy-N-propan-2-ylthiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(Cc1ccccc1N)C(C)C
InChIInChI=1S/C16H20N2O2S/c1-11(2)18(10-12-6-4-5-7-13(12)17)16(19)15-14(20-3)8-9-21-15/h4-9,11H,10,17H2,1-3H3
InChIKeyHCMAMJYXZCOVPK-UHFFFAOYSA-N
XLogP3.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-3-methoxy-N-propan-2-ylthiophene-2-carboxamide
CID 81122322
N-(2-aminophenyl)-3-methoxy-N-methylthiophene-2-carboxamide
CID 81117473
N-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide
CID 43460393
N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide
CID 43460336
N-[(2-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 43384061
N-[(2-bromophenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
CID 78945937
N-(2-aminophenyl)-3-methoxythiophene-2-carboxamide
CID 81116979
N-[(2-aminophenyl)methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide
CID 107970941
N-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide
CID 63833559
N-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide
CID 104859465
1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
CID 62700033
N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205556

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-3-methoxy-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-3-methoxy-N-propan-2-ylthiophene-2-carboxamide (CID 81116677) is N-[(2-aminophenyl)methyl]-3-methoxy-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-3-methoxy-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-3-methoxy-N-propan-2-ylthiophene-2-carboxamide is COc1ccsc1C(=O)N(Cc1ccccc1N)C(C)C.
What is the InChIKey of N-[(2-aminophenyl)methyl]-3-methoxy-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is HCMAMJYXZCOVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11(2)18(10-12-6-4-5-7-13(12)17)16(19)15-14(20-3)8-9-21-15/h4-9,11H,10,17H2,1-3H3.
What are the key properties of N-[(2-aminophenyl)methyl]-3-methoxy-N-propan-2-ylthiophene-2-carboxamide?
N-[(2-aminophenyl)methyl]-3-methoxy-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-3-methoxy-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 81116677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).