N-(5-nitro-1,3-thiazol-2-yl)-4-(phenylsulfamoyl)butanamide

C13H14N4O5S2 — CID 175100933

IUPACN-(5-nitro-1,3-thiazol-2-yl)-4-(phenylsulfamoyl)butanamide
SMILESO=C(CCCS(=O)(=O)Nc1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C13H14N4O5S2/c18-11(15-13-14-9-12(23-13)17(19)20)7-4-8-24(21,22)16-10-5-2-1-3-6-10/h1-3,5-6,9,16H,4,7-8H2,(H,14,15,18)
InChIKeyBDFIEWJFBUQOPX-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.21
Rot. Bonds8

About N-(5-nitro-1,3-thiazol-2-yl)-4-(phenylsulfamoyl)butanamide

N-(5-nitro-1,3-thiazol-2-yl)-4-(phenylsulfamoyl)butanamide (PubChem CID 175100933) has the molecular formula C13H14N4O5S2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(5-nitro-1,3-thiazol-2-yl)-4-(phenylsulfamoyl)butanamide.

Molecular Properties

Compound NameN-(5-nitro-1,3-thiazol-2-yl)-4-(phenylsulfamoyl)butanamide
PubChem CID175100933
Molecular FormulaC13H14N4O5S2
Molecular Weight370.41 g/mol
Exact Mass370.04
IUPAC NameN-(5-nitro-1,3-thiazol-2-yl)-4-(phenylsulfamoyl)butanamide
SMILESO=C(CCCS(=O)(=O)Nc1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C13H14N4O5S2/c18-11(15-13-14-9-12(23-13)17(19)20)7-4-8-24(21,22)16-10-5-2-1-3-6-10/h1-3,5-6,9,16H,4,7-8H2,(H,14,15,18)
InChIKeyBDFIEWJFBUQOPX-UHFFFAOYSA-N
XLogP2.21
TPSA131.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

6-[(5-nitro-1,3-thiazol-2-yl)amino]-6-oxohexanoic acid
CID 15741046
N-(5-nitro-1,3-thiazol-2-yl)-3-phenylsulfanylpropanamide
CID 2973288
N'-(4-chlorophenyl)sulfonyl-N-(5-nitro-1,3-thiazol-2-yl)pentanediamide
CID 15741049
N-(5-nitro-1,3-thiazol-2-yl)-2-(4-phenoxyphenoxy)acetamide
CID 127050758
3-[(4-methylphenyl)sulfonylamino]-N-(5-nitro-1,3-thiazol-2-yl)propanamide
CID 17154103
1-(5-nitro-1,3-thiazol-2-yl)-3-phenylthiourea;1-(5-nitro-1,3-thiazol-2-yl)-3-phenylurea
CID 165060570
[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 6055491
sodium 5-nitro-2-[(2-sulfosulfanylacetyl)amino]-1,3-thiazole
CID 126460340
tert-butyl N-[4-[(5-nitro-1,3-thiazol-2-yl)amino]-4-oxobutyl]carbamate
CID 175095293
2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3390048
N-(5-nitro-1,3-thiazol-2-yl)-2,2-diphenylacetamide
CID 4598640
2-(2-methoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3376734

Frequently Asked Questions

What is the IUPAC name of N-(5-nitro-1,3-thiazol-2-yl)-4-(phenylsulfamoyl)butanamide?
The IUPAC name of N-(5-nitro-1,3-thiazol-2-yl)-4-(phenylsulfamoyl)butanamide (CID 175100933) is N-(5-nitro-1,3-thiazol-2-yl)-4-(phenylsulfamoyl)butanamide.
What is the SMILES notation for N-(5-nitro-1,3-thiazol-2-yl)-4-(phenylsulfamoyl)butanamide?
The canonical SMILES for N-(5-nitro-1,3-thiazol-2-yl)-4-(phenylsulfamoyl)butanamide is O=C(CCCS(=O)(=O)Nc1ccccc1)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of N-(5-nitro-1,3-thiazol-2-yl)-4-(phenylsulfamoyl)butanamide?
The InChIKey is BDFIEWJFBUQOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O5S2/c18-11(15-13-14-9-12(23-13)17(19)20)7-4-8-24(21,22)16-10-5-2-1-3-6-10/h1-3,5-6,9,16H,4,7-8H2,(H,14,15,18).
What are the key properties of N-(5-nitro-1,3-thiazol-2-yl)-4-(phenylsulfamoyl)butanamide?
N-(5-nitro-1,3-thiazol-2-yl)-4-(phenylsulfamoyl)butanamide has a molecular weight of 370.41 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitro-1,3-thiazol-2-yl)-4-(phenylsulfamoyl)butanamide is sourced from PubChem (CID 175100933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).