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

C18H16N4O6S2 — CID 2463959

IUPACN-[2-methoxy-4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
SMILESCOc1cc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1NC(C)=O
InChIInChI=1S/C18H16N4O6S2/c1-11(23)19-15-7-6-14(9-17(15)28-2)30(26,27)21-18-20-16(10-29-18)12-4-3-5-13(8-12)22(24)25/h3-10H,1-2H3,(H,19,23)(H,20,21)
InChIKeyIOSRUOISUGQMNP-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.49
Rot. Bonds7

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

N-[2-methoxy-4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 2463959) has the molecular formula C18H16N4O6S2 and a molecular weight of 448.48 g/mol. Its IUPAC name is N-[2-methoxy-4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID2463959
Molecular FormulaC18H16N4O6S2
Molecular Weight448.48 g/mol
Exact Mass448.05
IUPAC NameN-[2-methoxy-4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
SMILESCOc1cc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1NC(C)=O
InChIInChI=1S/C18H16N4O6S2/c1-11(23)19-15-7-6-14(9-17(15)28-2)30(26,27)21-18-20-16(10-29-18)12-4-3-5-13(8-12)22(24)25/h3-10H,1-2H3,(H,19,23)(H,20,21)
InChIKeyIOSRUOISUGQMNP-UHFFFAOYSA-N
XLogP3.49
TPSA140.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzenesulfonamide
CID 19203791
2-(4-methoxy-3-methylphenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 16848061
N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 733841
2-acetamido-2-cyclopentyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 55461517
N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-3-nitrobenzenesulfonamide
CID 100974632
(2S)-2-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 2384514
1-[2-(2,6-dimethoxyphenyl)ethyl]-3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]thiourea
CID 19703891
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 4641140
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 3630443
2,6-dimethoxy-4-[[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 3747137
4-[cyclopropyl(methyl)sulfamoyl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 41363905
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 21169008

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide (CID 2463959) is N-[2-methoxy-4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide is COc1cc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is IOSRUOISUGQMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O6S2/c1-11(23)19-15-7-6-14(9-17(15)28-2)30(26,27)21-18-20-16(10-29-18)12-4-3-5-13(8-12)22(24)25/h3-10H,1-2H3,(H,19,23)(H,20,21).
What are the key properties of N-[2-methoxy-4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide?
N-[2-methoxy-4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 448.48 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2463959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).