N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide

C21H20N4O4S2 — CID 55653409

IUPACN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nc(C)c(SCC(N)=O)s2)cc1
InChIInChI=1S/C21H20N4O4S2/c1-12-20(30-11-17(22)26)31-21(23-12)25-19(28)15-5-3-4-6-16(15)24-18(27)13-7-9-14(29-2)10-8-13/h3-10H,11H2,1-2H3,(H2,22,26)(H,24,27)(H,23,25,28)
InChIKeyVNSMGANNJZGNMU-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.54
Rot. Bonds8

About N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide (PubChem CID 55653409) has the molecular formula C21H20N4O4S2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
PubChem CID55653409
Molecular FormulaC21H20N4O4S2
Molecular Weight456.55 g/mol
Exact Mass456.09
IUPAC NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nc(C)c(SCC(N)=O)s2)cc1
InChIInChI=1S/C21H20N4O4S2/c1-12-20(30-11-17(22)26)31-21(23-12)25-19(28)15-5-3-4-6-16(15)24-18(27)13-7-9-14(29-2)10-8-13/h3-10H,11H2,1-2H3,(H2,22,26)(H,24,27)(H,23,25,28)
InChIKeyVNSMGANNJZGNMU-UHFFFAOYSA-N
XLogP3.54
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide with MolForge

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 45021560
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
CID 39024026
2-[(4-methoxybenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45022028
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[(2-chlorophenyl)methoxy]-3-methoxybenzamide
CID 39024155
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide
CID 39026069
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-(1,3-dithiolan-2-yl)benzamide
CID 39025643
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 38585979
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzamide
CID 39025972
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide
CID 39025508
2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871469
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-5-bromo-2-chlorobenzamide
CID 39023992
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 35344467

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
The IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide (CID 55653409) is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
The canonical SMILES for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nc(C)c(SCC(N)=O)s2)cc1.
What is the InChIKey of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
The InChIKey is VNSMGANNJZGNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S2/c1-12-20(30-11-17(22)26)31-21(23-12)25-19(28)15-5-3-4-6-16(15)24-18(27)13-7-9-14(29-2)10-8-13/h3-10H,11H2,1-2H3,(H2,22,26)(H,24,27)(H,23,25,28).
What are the key properties of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide has a molecular weight of 456.55 g/mol, XLogP of 3.54, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide is sourced from PubChem (CID 55653409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).