N-[2-methyl-1-[[(4-methylphenyl)-pyridin-4-ylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C22H23N3O2S — CID 131908040

IUPACN-[2-methyl-1-[[(4-methylphenyl)-pyridin-4-ylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(NC(=O)C(C)(C)NC(=O)c2cccs2)c2ccncc2)cc1
InChIInChI=1S/C22H23N3O2S/c1-15-6-8-16(9-7-15)19(17-10-12-23-13-11-17)24-21(27)22(2,3)25-20(26)18-5-4-14-28-18/h4-14,19H,1-3H3,(H,24,27)(H,25,26)
InChIKeyAGRLWEBAYAAVKM-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.87
Rot. Bonds6

About N-[2-methyl-1-[[(4-methylphenyl)-pyridin-4-ylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[2-methyl-1-[[(4-methylphenyl)-pyridin-4-ylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 131908040) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[2-methyl-1-[[(4-methylphenyl)-pyridin-4-ylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-[[(4-methylphenyl)-pyridin-4-ylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID131908040
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-[2-methyl-1-[[(4-methylphenyl)-pyridin-4-ylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(NC(=O)C(C)(C)NC(=O)c2cccs2)c2ccncc2)cc1
InChIInChI=1S/C22H23N3O2S/c1-15-6-8-16(9-7-15)19(17-10-12-23-13-11-17)24-21(27)22(2,3)25-20(26)18-5-4-14-28-18/h4-14,19H,1-3H3,(H,24,27)(H,25,26)
InChIKeyAGRLWEBAYAAVKM-UHFFFAOYSA-N
XLogP3.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide
CID 92500192
N-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)thiophene-2-carboxamide
CID 14552701
N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51184874
2,2-dimethyl-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide
CID 92500199
N-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 55368199
N-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 51296320
N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide
CID 4787429
N-(2-pyridin-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 110870459
N-[2-methyl-1-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46998479
N-[(4-methylphenyl)-pyridin-4-ylmethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 77082497
N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 42889829
N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide
CID 95151159

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[[(4-methylphenyl)-pyridin-4-ylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-methyl-1-[[(4-methylphenyl)-pyridin-4-ylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 131908040) is N-[2-methyl-1-[[(4-methylphenyl)-pyridin-4-ylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-methyl-1-[[(4-methylphenyl)-pyridin-4-ylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-methyl-1-[[(4-methylphenyl)-pyridin-4-ylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is Cc1ccc(C(NC(=O)C(C)(C)NC(=O)c2cccs2)c2ccncc2)cc1.
What is the InChIKey of N-[2-methyl-1-[[(4-methylphenyl)-pyridin-4-ylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is AGRLWEBAYAAVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-15-6-8-16(9-7-15)19(17-10-12-23-13-11-17)24-21(27)22(2,3)25-20(26)18-5-4-14-28-18/h4-14,19H,1-3H3,(H,24,27)(H,25,26).
What are the key properties of N-[2-methyl-1-[[(4-methylphenyl)-pyridin-4-ylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[2-methyl-1-[[(4-methylphenyl)-pyridin-4-ylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[[(4-methylphenyl)-pyridin-4-ylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 131908040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).