(2S)-N,2-diphenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide

C20H16N4OS — CID 94546891

IUPAC(2S)-N,2-diphenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
SMILESO=C(Nc1ccccc1)[C@@H](Nc1ncnc2sccc12)c1ccccc1
InChIInChI=1S/C20H16N4OS/c25-19(23-15-9-5-2-6-10-15)17(14-7-3-1-4-8-14)24-18-16-11-12-26-20(16)22-13-21-18/h1-13,17H,(H,23,25)(H,21,22,24)/t17-/m0/s1
InChIKeyIAXFCPQMJSGNJG-KRWDZBQOSA-N
MW360.44 g/mol
LogP4.48
Rot. Bonds5

About (2S)-N,2-diphenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide

(2S)-N,2-diphenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide (PubChem CID 94546891) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is (2S)-N,2-diphenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide.

Molecular Properties

Compound Name(2S)-N,2-diphenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
PubChem CID94546891
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name(2S)-N,2-diphenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
SMILESO=C(Nc1ccccc1)[C@@H](Nc1ncnc2sccc12)c1ccccc1
InChIInChI=1S/C20H16N4OS/c25-19(23-15-9-5-2-6-10-15)17(14-7-3-1-4-8-14)24-18-16-11-12-26-20(16)22-13-21-18/h1-13,17H,(H,23,25)(H,21,22,24)/t17-/m0/s1
InChIKeyIAXFCPQMJSGNJG-KRWDZBQOSA-N
XLogP4.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-diphenyl-N-thieno[2,3-d]pyrimidin-4-ylacetamide
CID 7615397
(2S)-N,2-diphenyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)acetamide
CID 95767770
(2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid
CID 93263493
N,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78847132
N-[(R)-cyclopropyl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 41332400
N-[(S)-furan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 9450827
(2R)-N-(4-fluorophenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 7889230
2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid
CID 43631382
N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 36725383
3-(benzenesulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylpropanamide
CID 7615443
N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 62402452
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464

Frequently Asked Questions

What is the IUPAC name of (2S)-N,2-diphenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide?
The IUPAC name of (2S)-N,2-diphenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide (CID 94546891) is (2S)-N,2-diphenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide.
What is the SMILES notation for (2S)-N,2-diphenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide?
The canonical SMILES for (2S)-N,2-diphenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide is O=C(Nc1ccccc1)[C@@H](Nc1ncnc2sccc12)c1ccccc1.
What is the InChIKey of (2S)-N,2-diphenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide?
The InChIKey is IAXFCPQMJSGNJG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H16N4OS/c25-19(23-15-9-5-2-6-10-15)17(14-7-3-1-4-8-14)24-18-16-11-12-26-20(16)22-13-21-18/h1-13,17H,(H,23,25)(H,21,22,24)/t17-/m0/s1.
What are the key properties of (2S)-N,2-diphenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide?
(2S)-N,2-diphenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide has a molecular weight of 360.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2-diphenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide is sourced from PubChem (CID 94546891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).