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

C18H17N5O4S2 — CID 136822574

IUPAC(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide
SMILESNc1cc(=O)[nH]c(S[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1
InChIInChI=1S/C18H17N5O4S2/c19-14-10-15(24)23-18(22-14)28-16(11-4-2-1-3-5-11)17(25)21-12-6-8-13(9-7-12)29(20,26)27/h1-10,16H,(H,21,25)(H2,20,26,27)(H3,19,22,23,24)/t16-/m1/s1
InChIKeyFWCCSVBUAUGLMK-MRXNPFEDSA-N
MW431.50 g/mol
LogP1.47
Rot. Bonds6

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

(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide (PubChem CID 136822574) has the molecular formula C18H17N5O4S2 and a molecular weight of 431.50 g/mol. Its IUPAC name is (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide
PubChem CID136822574
Molecular FormulaC18H17N5O4S2
Molecular Weight431.50 g/mol
Exact Mass431.07
IUPAC Name(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide
SMILESNc1cc(=O)[nH]c(S[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1
InChIInChI=1S/C18H17N5O4S2/c19-14-10-15(24)23-18(22-14)28-16(11-4-2-1-3-5-11)17(25)21-12-6-8-13(9-7-12)29(20,26)27/h1-10,16H,(H,21,25)(H2,20,26,27)(H3,19,22,23,24)/t16-/m1/s1
InChIKeyFWCCSVBUAUGLMK-MRXNPFEDSA-N
XLogP1.47
TPSA161.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide with MolForge

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Related Compounds

(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 135905937
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 135646878
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzyl-2-phenylacetamide
CID 135950983
2-phenyl-N-(4-sulfamoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 25251917
(2S)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 135880626
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 136712452
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 135706250
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide
CID 135552316
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide
CID 135420393
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 135811683
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-2-ylbutanamide
CID 135765833
2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 6324505

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide (CID 136822574) is (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide is Nc1cc(=O)[nH]c(S[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1.
What is the InChIKey of (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is FWCCSVBUAUGLMK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17N5O4S2/c19-14-10-15(24)23-18(22-14)28-16(11-4-2-1-3-5-11)17(25)21-12-6-8-13(9-7-12)29(20,26)27/h1-10,16H,(H,21,25)(H2,20,26,27)(H3,19,22,23,24)/t16-/m1/s1.
What are the key properties of (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide?
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 431.50 g/mol, XLogP of 1.47, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 136822574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).