4-amino-N-(2-methylsulfonyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide

C14H11N5O5S2 — CID 67377565

IUPAC4-amino-N-(2-methylsulfonyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC(=O)c1csc2c(N)ncnc12
InChIInChI=1S/C14H11N5O5S2/c1-26(23,24)10-3-2-7(19(21)22)4-9(10)18-14(20)8-5-25-12-11(8)16-6-17-13(12)15/h2-6H,1H3,(H,18,20)(H2,15,16,17)
InChIKeyIANNVLLBGJVUIQ-UHFFFAOYSA-N
MW393.41 g/mol
LogP1.84
Rot. Bonds4

About 4-amino-N-(2-methylsulfonyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide

4-amino-N-(2-methylsulfonyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 67377565) has the molecular formula C14H11N5O5S2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 4-amino-N-(2-methylsulfonyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methylsulfonyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID67377565
Molecular FormulaC14H11N5O5S2
Molecular Weight393.41 g/mol
Exact Mass393.02
IUPAC Name4-amino-N-(2-methylsulfonyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC(=O)c1csc2c(N)ncnc12
InChIInChI=1S/C14H11N5O5S2/c1-26(23,24)10-3-2-7(19(21)22)4-9(10)18-14(20)8-5-25-12-11(8)16-6-17-13(12)15/h2-6H,1H3,(H,18,20)(H2,15,16,17)
InChIKeyIANNVLLBGJVUIQ-UHFFFAOYSA-N
XLogP1.84
TPSA158.18 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminothiophen-3-yl)-4-nitrobenzamide
CID 139816874
4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 81238388
2-amino-N-[2-(methanesulfonamido)ethyl]-5-nitrobenzamide
CID 62155328
2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62786667
4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 62155643
N-(2-hydroxy-5-nitrophenyl)-2-methylpyridine-3-carboxamide
CID 103863225
N-(2-methylsulfonylphenyl)-2-nitrobenzamide
CID 22245129
2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-4-nitrobenzoic acid
CID 65199661
2-amino-N-(2-fluoro-5-nitrophenyl)-5-methylbenzamide
CID 62510366
2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)-5-nitrobenzamide
CID 31929454
2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 30951453
3,6-dichloro-N-(2-hydroxy-5-nitrophenyl)pyridazine-4-carboxamide
CID 136812224

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylsulfonyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 4-amino-N-(2-methylsulfonyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide (CID 67377565) is 4-amino-N-(2-methylsulfonyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methylsulfonyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 4-amino-N-(2-methylsulfonyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide is CS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC(=O)c1csc2c(N)ncnc12.
What is the InChIKey of 4-amino-N-(2-methylsulfonyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is IANNVLLBGJVUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O5S2/c1-26(23,24)10-3-2-7(19(21)22)4-9(10)18-14(20)8-5-25-12-11(8)16-6-17-13(12)15/h2-6H,1H3,(H,18,20)(H2,15,16,17).
What are the key properties of 4-amino-N-(2-methylsulfonyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
4-amino-N-(2-methylsulfonyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylsulfonyl-5-nitrophenyl)thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 67377565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).