N-[1-[(3-methoxyphenyl)methyl]cyclopropyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide

C21H21N3O4S2 — CID 87486974

IUPACN-[1-[(3-methoxyphenyl)methyl]cyclopropyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESCOc1cccc(CC2(NC(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2)c1
InChIInChI=1S/C21H21N3O4S2/c1-28-17-4-2-3-15(13-17)14-21(9-10-21)23-19(25)16-5-7-18(8-6-16)30(26,27)24-20-22-11-12-29-20/h2-8,11-13H,9-10,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyZCCNCJDMBAYSOO-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.46
Rot. Bonds8

About N-[1-[(3-methoxyphenyl)methyl]cyclopropyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide

N-[1-[(3-methoxyphenyl)methyl]cyclopropyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (PubChem CID 87486974) has the molecular formula C21H21N3O4S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[1-[(3-methoxyphenyl)methyl]cyclopropyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-[(3-methoxyphenyl)methyl]cyclopropyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
PubChem CID87486974
Molecular FormulaC21H21N3O4S2
Molecular Weight443.55 g/mol
Exact Mass443.10
IUPAC NameN-[1-[(3-methoxyphenyl)methyl]cyclopropyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESCOc1cccc(CC2(NC(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2)c1
InChIInChI=1S/C21H21N3O4S2/c1-28-17-4-2-3-15(13-17)14-21(9-10-21)23-19(25)16-5-7-18(8-6-16)30(26,27)24-20-22-11-12-29-20/h2-8,11-13H,9-10,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyZCCNCJDMBAYSOO-UHFFFAOYSA-N
XLogP3.46
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide
CID 16665833
2-(3-methoxyphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 43910258
N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488273
2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 146122970
4-(4-methoxyphenyl)-4-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 108796477
3-ethoxy-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4957664
2-(4-methoxyphenyl)-2-sulfanylidene-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 25048712
3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71691339
2-(3-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 2135518
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 121051792
5-[(2-methoxyphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19467487
5-[(4-acetylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19455196

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methoxyphenyl)methyl]cyclopropyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[1-[(3-methoxyphenyl)methyl]cyclopropyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (CID 87486974) is N-[1-[(3-methoxyphenyl)methyl]cyclopropyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-[(3-methoxyphenyl)methyl]cyclopropyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[1-[(3-methoxyphenyl)methyl]cyclopropyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is COc1cccc(CC2(NC(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2)c1.
What is the InChIKey of N-[1-[(3-methoxyphenyl)methyl]cyclopropyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The InChIKey is ZCCNCJDMBAYSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S2/c1-28-17-4-2-3-15(13-17)14-21(9-10-21)23-19(25)16-5-7-18(8-6-16)30(26,27)24-20-22-11-12-29-20/h2-8,11-13H,9-10,14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[1-[(3-methoxyphenyl)methyl]cyclopropyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
N-[1-[(3-methoxyphenyl)methyl]cyclopropyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide has a molecular weight of 443.55 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methoxyphenyl)methyl]cyclopropyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 87486974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).