N-methyl-N-[2-oxo-2-[(2-phenylmethoxy-4-pyridinyl)methylamino]ethyl]thiophene-2-carboxamide

C21H21N3O3S — CID 55716009

IUPACN-methyl-N-[2-oxo-2-[(2-phenylmethoxy-4-pyridinyl)methylamino]ethyl]thiophene-2-carboxamide
SMILESCN(CC(=O)NCc1ccnc(OCc2ccccc2)c1)C(=O)c1cccs1
InChIInChI=1S/C21H21N3O3S/c1-24(21(26)18-8-5-11-28-18)14-19(25)23-13-17-9-10-22-20(12-17)27-15-16-6-3-2-4-7-16/h2-12H,13-15H2,1H3,(H,23,25)
InChIKeyCHBZGEJEEHAPRN-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.11
Rot. Bonds8

About N-methyl-N-[2-oxo-2-[(2-phenylmethoxy-4-pyridinyl)methylamino]ethyl]thiophene-2-carboxamide

N-methyl-N-[2-oxo-2-[(2-phenylmethoxy-4-pyridinyl)methylamino]ethyl]thiophene-2-carboxamide (PubChem CID 55716009) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[(2-phenylmethoxy-4-pyridinyl)methylamino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[(2-phenylmethoxy-4-pyridinyl)methylamino]ethyl]thiophene-2-carboxamide
PubChem CID55716009
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-methyl-N-[2-oxo-2-[(2-phenylmethoxy-4-pyridinyl)methylamino]ethyl]thiophene-2-carboxamide
SMILESCN(CC(=O)NCc1ccnc(OCc2ccccc2)c1)C(=O)c1cccs1
InChIInChI=1S/C21H21N3O3S/c1-24(21(26)18-8-5-11-28-18)14-19(25)23-13-17-9-10-22-20(12-17)27-15-16-6-3-2-4-7-16/h2-12H,13-15H2,1H3,(H,23,25)
InChIKeyCHBZGEJEEHAPRN-UHFFFAOYSA-N
XLogP3.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707253
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-(thiophene-2-carbonyl)benzamide
CID 55962347
3-[[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoic acid
CID 75415549
N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55609041
N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
2-(4-chlorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707148
2-(3-methoxyphenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707019
methyl N-[4-[[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]methyl]phenyl]carbamate
CID 55845804
N-[2-[[(2S)-2-benzyl-3-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 95772105
5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 46476097
1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
CID 87004224
4-(3,4-dimethylphenyl)-4-oxo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide
CID 55707023

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[(2-phenylmethoxy-4-pyridinyl)methylamino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[(2-phenylmethoxy-4-pyridinyl)methylamino]ethyl]thiophene-2-carboxamide (CID 55716009) is N-methyl-N-[2-oxo-2-[(2-phenylmethoxy-4-pyridinyl)methylamino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[(2-phenylmethoxy-4-pyridinyl)methylamino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[(2-phenylmethoxy-4-pyridinyl)methylamino]ethyl]thiophene-2-carboxamide is CN(CC(=O)NCc1ccnc(OCc2ccccc2)c1)C(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[(2-phenylmethoxy-4-pyridinyl)methylamino]ethyl]thiophene-2-carboxamide?
The InChIKey is CHBZGEJEEHAPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-24(21(26)18-8-5-11-28-18)14-19(25)23-13-17-9-10-22-20(12-17)27-15-16-6-3-2-4-7-16/h2-12H,13-15H2,1H3,(H,23,25).
What are the key properties of N-methyl-N-[2-oxo-2-[(2-phenylmethoxy-4-pyridinyl)methylamino]ethyl]thiophene-2-carboxamide?
N-methyl-N-[2-oxo-2-[(2-phenylmethoxy-4-pyridinyl)methylamino]ethyl]thiophene-2-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[(2-phenylmethoxy-4-pyridinyl)methylamino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55716009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).