4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide

C19H18N4O5S2 — CID 18572014

IUPAC4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(C(N)=O)cc3)cs2)cc1
InChIInChI=1S/C19H18N4O5S2/c1-28-15-6-8-16(9-7-15)30(26,27)23-19-22-14(11-29-19)10-17(24)21-13-4-2-12(3-5-13)18(20)25/h2-9,11H,10H2,1H3,(H2,20,25)(H,21,24)(H,22,23)
InChIKeyKFASIANIESNPHS-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.23
Rot. Bonds8

About 4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide

4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide (PubChem CID 18572014) has the molecular formula C19H18N4O5S2 and a molecular weight of 446.51 g/mol. Its IUPAC name is 4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
PubChem CID18572014
Molecular FormulaC19H18N4O5S2
Molecular Weight446.51 g/mol
Exact Mass446.07
IUPAC Name4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(C(N)=O)cc3)cs2)cc1
InChIInChI=1S/C19H18N4O5S2/c1-28-15-6-8-16(9-7-15)30(26,27)23-19-22-14(11-29-19)10-17(24)21-13-4-2-12(3-5-13)18(20)25/h2-9,11H,10H2,1H3,(H2,20,25)(H,21,24)(H,22,23)
InChIKeyKFASIANIESNPHS-UHFFFAOYSA-N
XLogP2.23
TPSA140.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 108802061
2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 18572006
N-(2-methoxy-4-methylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 18572009
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205
2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 18571924
4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 82547522
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methoxy-3-nitrophenyl)acetamide
CID 108789180
2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 18571981
4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 27548819
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide
CID 41231527

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide (CID 18572014) is 4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide is COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(C(N)=O)cc3)cs2)cc1.
What is the InChIKey of 4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The InChIKey is KFASIANIESNPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S2/c1-28-15-6-8-16(9-7-15)30(26,27)23-19-22-14(11-29-19)10-17(24)21-13-4-2-12(3-5-13)18(20)25/h2-9,11H,10H2,1H3,(H2,20,25)(H,21,24)(H,22,23).
What are the key properties of 4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide?
4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide has a molecular weight of 446.51 g/mol, XLogP of 2.23, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide is sourced from PubChem (CID 18572014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).