(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide

C19H18N4O4S2 — CID 135905937

IUPAC(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide
SMILESCc1cc(=O)[nH]c(S[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1
InChIInChI=1S/C19H18N4O4S2/c1-12-11-16(24)23-19(21-12)28-17(13-5-3-2-4-6-13)18(25)22-14-7-9-15(10-8-14)29(20,26)27/h2-11,17H,1H3,(H,22,25)(H2,20,26,27)(H,21,23,24)/t17-/m0/s1
InChIKeyOKZLGLNLHHBNOV-KRWDZBQOSA-N
MW430.51 g/mol
LogP2.20
Rot. Bonds6

About (2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide

(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide (PubChem CID 135905937) has the molecular formula C19H18N4O4S2 and a molecular weight of 430.51 g/mol. Its IUPAC name is (2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide
PubChem CID135905937
Molecular FormulaC19H18N4O4S2
Molecular Weight430.51 g/mol
Exact Mass430.08
IUPAC Name(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide
SMILESCc1cc(=O)[nH]c(S[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1
InChIInChI=1S/C19H18N4O4S2/c1-12-11-16(24)23-19(21-12)28-17(13-5-3-2-4-6-13)18(25)22-14-7-9-15(10-8-14)29(20,26)27/h2-11,17H,1H3,(H,22,25)(H2,20,26,27)(H,21,23,24)/t17-/m0/s1
InChIKeyOKZLGLNLHHBNOV-KRWDZBQOSA-N
XLogP2.20
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 136822574
(2S)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 135880626
2-phenyl-N-(4-sulfamoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 25251917
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 135646878
4-methyl-2-[(1S)-2-oxo-1,2-diphenylethyl]sulfanyl-1H-pyrimidin-6-one
CID 135585315
4-methyl-N-[3-[2-oxo-1-phenyl-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide
CID 18907255
2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 6324505
N-(5-methyl-1,2-oxazol-3-yl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-2-phenylacetamide
CID 136797588
N-(4-acetylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135410556
(2R)-N-(4-acetylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135783764
(2R)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,2-diphenylacetamide
CID 135910083
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 135706250

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of (2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide (CID 135905937) is (2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for (2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for (2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide is Cc1cc(=O)[nH]c(S[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1.
What is the InChIKey of (2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is OKZLGLNLHHBNOV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18N4O4S2/c1-12-11-16(24)23-19(21-12)28-17(13-5-3-2-4-6-13)18(25)22-14-7-9-15(10-8-14)29(20,26)27/h2-11,17H,1H3,(H,22,25)(H2,20,26,27)(H,21,23,24)/t17-/m0/s1.
What are the key properties of (2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide?
(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 430.51 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 135905937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).