2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methoxy-3-nitrophenyl)acetamide

C18H16N4O6S2 — CID 108789180

IUPAC2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methoxy-3-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(NS(=O)(=O)c3ccccc3)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H16N4O6S2/c1-28-16-8-7-12(9-15(16)22(24)25)19-17(23)10-13-11-29-18(20-13)21-30(26,27)14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H,19,23)(H,20,21)
InChIKeyYSHHUHBEWRAAJA-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.04
Rot. Bonds8

About 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methoxy-3-nitrophenyl)acetamide

2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methoxy-3-nitrophenyl)acetamide (PubChem CID 108789180) has the molecular formula C18H16N4O6S2 and a molecular weight of 448.48 g/mol. Its IUPAC name is 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methoxy-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methoxy-3-nitrophenyl)acetamide
PubChem CID108789180
Molecular FormulaC18H16N4O6S2
Molecular Weight448.48 g/mol
Exact Mass448.05
IUPAC Name2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methoxy-3-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(NS(=O)(=O)c3ccccc3)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H16N4O6S2/c1-28-16-8-7-12(9-15(16)22(24)25)19-17(23)10-13-11-29-18(20-13)21-30(26,27)14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H,19,23)(H,20,21)
InChIKeyYSHHUHBEWRAAJA-UHFFFAOYSA-N
XLogP3.04
TPSA140.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide
CID 41231527
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide
CID 41231504
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide
CID 108802071
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 108802061
N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 18572007
2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 18571965
4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 18572014
2-[2-[(3,4-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 20983652
N-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 18572009
N-[4-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 51191490
N-(4-methoxy-3-nitrophenyl)propanamide
CID 2995377

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methoxy-3-nitrophenyl)acetamide?
The IUPAC name of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methoxy-3-nitrophenyl)acetamide (CID 108789180) is 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methoxy-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methoxy-3-nitrophenyl)acetamide?
The canonical SMILES for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methoxy-3-nitrophenyl)acetamide is COc1ccc(NC(=O)Cc2csc(NS(=O)(=O)c3ccccc3)n2)cc1[N+](=O)[O-].
What is the InChIKey of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methoxy-3-nitrophenyl)acetamide?
The InChIKey is YSHHUHBEWRAAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O6S2/c1-28-16-8-7-12(9-15(16)22(24)25)19-17(23)10-13-11-29-18(20-13)21-30(26,27)14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H,19,23)(H,20,21).
What are the key properties of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methoxy-3-nitrophenyl)acetamide?
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methoxy-3-nitrophenyl)acetamide has a molecular weight of 448.48 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methoxy-3-nitrophenyl)acetamide is sourced from PubChem (CID 108789180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).