N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]thiophene-3-carboxamide

C18H17N3O2S — CID 70924531

IUPACN-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]thiophene-3-carboxamide
SMILESCc1cnc([C@@H](NC(=O)c2ccsc2)c2ccccc2)n(C)c1=O
InChIInChI=1S/C18H17N3O2S/c1-12-10-19-16(21(2)18(12)23)15(13-6-4-3-5-7-13)20-17(22)14-8-9-24-11-14/h3-11,15H,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyPDAXKCMGAZNQMT-HNNXBMFYSA-N
MW339.42 g/mol
LogP2.67
Rot. Bonds4

About N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]thiophene-3-carboxamide

N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]thiophene-3-carboxamide (PubChem CID 70924531) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]thiophene-3-carboxamide
PubChem CID70924531
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]thiophene-3-carboxamide
SMILESCc1cnc([C@@H](NC(=O)c2ccsc2)c2ccccc2)n(C)c1=O
InChIInChI=1S/C18H17N3O2S/c1-12-10-19-16(21(2)18(12)23)15(13-6-4-3-5-7-13)20-17(22)14-8-9-24-11-14/h3-11,15H,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyPDAXKCMGAZNQMT-HNNXBMFYSA-N
XLogP2.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]-2-phenylacetamide
CID 70924516
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 47014692
N-[(R)-(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-4-fluoro-3-methylbenzamide
CID 97185508
2-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonylamino)acetic acid
CID 113279490
N-[(1-methyl-6-oxo-5-propan-2-ylpyrimidin-2-yl)-phenylmethyl]-2-morpholin-4-ylacetamide
CID 58751803
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-carboxamide
CID 129478206
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-3-carboxamide
CID 47043425
N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933
3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17451841
N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-6-methylpyridine-3-carboxamide
CID 60580164
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide
CID 125157786

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]thiophene-3-carboxamide?
The IUPAC name of N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]thiophene-3-carboxamide (CID 70924531) is N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]thiophene-3-carboxamide is Cc1cnc([C@@H](NC(=O)c2ccsc2)c2ccccc2)n(C)c1=O.
What is the InChIKey of N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]thiophene-3-carboxamide?
The InChIKey is PDAXKCMGAZNQMT-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-10-19-16(21(2)18(12)23)15(13-6-4-3-5-7-13)20-17(22)14-8-9-24-11-14/h3-11,15H,1-2H3,(H,20,22)/t15-/m0/s1.
What are the key properties of N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]thiophene-3-carboxamide?
N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]thiophene-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]thiophene-3-carboxamide is sourced from PubChem (CID 70924531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).