N-[[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]methyl]-N-methylthiophene-2-carboxamide

C17H21N3O3S — CID 120990425

IUPACN-[[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]methyl]-N-methylthiophene-2-carboxamide
SMILESCOCC(N)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1
InChIInChI=1S/C17H21N3O3S/c1-20(17(22)15-8-5-9-24-15)10-12-6-3-4-7-14(12)19-16(21)13(18)11-23-2/h3-9,13H,10-11,18H2,1-2H3,(H,19,21)
InChIKeyKIFUGRJYLHKIDG-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.93
Rot. Bonds7

About N-[[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]methyl]-N-methylthiophene-2-carboxamide

N-[[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]methyl]-N-methylthiophene-2-carboxamide (PubChem CID 120990425) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]methyl]-N-methylthiophene-2-carboxamide
PubChem CID120990425
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]methyl]-N-methylthiophene-2-carboxamide
SMILESCOCC(N)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1
InChIInChI=1S/C17H21N3O3S/c1-20(17(22)15-8-5-9-24-15)10-12-6-3-4-7-14(12)19-16(21)13(18)11-23-2/h3-9,13H,10-11,18H2,1-2H3,(H,19,21)
InChIKeyKIFUGRJYLHKIDG-UHFFFAOYSA-N
XLogP1.93
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide
CID 81082978
2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid
CID 81088004
N-methyl-N-[[2-[1-(1-methylimidazol-2-yl)ethylcarbamoylamino]phenyl]methyl]thiophene-2-carboxamide
CID 126825045
2-amino-N-[2-(2-methoxyethyl)phenyl]-2-thiophen-2-ylacetamide
CID 102905627
N-methyl-N-[[2-(pyridin-3-ylmethylamino)phenyl]methyl]thiophene-2-carboxamide
CID 75385509
2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methoxy-N-methylpropanamide
CID 120983235
2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide
CID 81083212
2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 81081754
N-[[2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]phenyl]methyl]-N-methylthiophene-2-carboxamide
CID 100686493
(2R)-2-amino-N-[2-(methoxymethyl)phenyl]propanamide;hydrochloride
CID 119288747
2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide
CID 43695727
2-amino-N-[2-(methoxymethyl)phenyl]pentanamide
CID 43701011

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]methyl]-N-methylthiophene-2-carboxamide (CID 120990425) is N-[[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]methyl]-N-methylthiophene-2-carboxamide is COCC(N)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1.
What is the InChIKey of N-[[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is KIFUGRJYLHKIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-20(17(22)15-8-5-9-24-15)10-12-6-3-4-7-14(12)19-16(21)13(18)11-23-2/h3-9,13H,10-11,18H2,1-2H3,(H,19,21).
What are the key properties of N-[[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]methyl]-N-methylthiophene-2-carboxamide?
N-[[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 120990425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).