N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-methyl-2-(2-methylpropoxy)phenyl]oxamide

C18H24N4O5S2 — CID 87230669

IUPACN'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-methyl-2-(2-methylpropoxy)phenyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2nc(CNS(C)(=O)=O)cs2)c(OCC(C)C)c1
InChIInChI=1S/C18H24N4O5S2/c1-11(2)9-27-15-7-12(3)5-6-14(15)21-16(23)17(24)22-18-20-13(10-28-18)8-19-29(4,25)26/h5-7,10-11,19H,8-9H2,1-4H3,(H,21,23)(H,20,22,24)
InChIKeyKPWYDUMQQCBVOH-UHFFFAOYSA-N
MW440.55 g/mol
LogP2.11
Rot. Bonds8

About N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-methyl-2-(2-methylpropoxy)phenyl]oxamide

N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-methyl-2-(2-methylpropoxy)phenyl]oxamide (PubChem CID 87230669) has the molecular formula C18H24N4O5S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-methyl-2-(2-methylpropoxy)phenyl]oxamide.

Molecular Properties

Compound NameN'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-methyl-2-(2-methylpropoxy)phenyl]oxamide
PubChem CID87230669
Molecular FormulaC18H24N4O5S2
Molecular Weight440.55 g/mol
Exact Mass440.12
IUPAC NameN'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-methyl-2-(2-methylpropoxy)phenyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2nc(CNS(C)(=O)=O)cs2)c(OCC(C)C)c1
InChIInChI=1S/C18H24N4O5S2/c1-11(2)9-27-15-7-12(3)5-6-14(15)21-16(23)17(24)22-18-20-13(10-28-18)8-19-29(4,25)26/h5-7,10-11,19H,8-9H2,1-4H3,(H,21,23)(H,20,22,24)
InChIKeyKPWYDUMQQCBVOH-UHFFFAOYSA-N
XLogP2.11
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]acetic acid
CID 59732755
1-[4-methyl-2-(2-methylpropoxy)phenyl]-3-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]urea
CID 87231672
N-methyl-2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide
CID 87231359
2-[[2-[2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 59732768
N'-[4-[amino(methylsulfonyl)methyl]-5-chloro-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide;N-[4-fluoro-2-(2-methylpropoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]oxamide
CID 87417258
1-(5-chloro-1,3-thiazol-2-yl)-3-[4-methyl-2-(2-methylpropoxy)phenyl]urea
CID 87231239
2-[5-(1H-imidazol-2-ylsulfanyl)-2-[[3-[2-(2-methylpropoxy)anilino]-3-oxopropanoyl]amino]-1,3-thiazol-4-yl]acetic acid;N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[2-(2-methylpropoxy)phenyl]propanediamide
CID 160793128
1-[4-methyl-2-(2-methylpropoxy)phenyl]-3-(5-pyridin-4-ylsulfonyl-1,3-thiazol-2-yl)urea
CID 87230448
N-[4-fluoro-2-(2-methylpropoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-pyridin-2-ylsulfanyl-1,3-thiazol-2-yl]propanediamide
CID 87231364
N'-[4-(methanesulfonamidomethyl)-5-methylsulfonyl-1,3-thiazol-2-yl]-N-[2-(2-methylpropoxy)phenyl]propanediamide
CID 87230284
2-[2-[[2-[2-(2-methylpropoxy)anilino]-2-oxoacetyl]amino]-5-methylsulfonyl-1,3-thiazol-4-yl]acetic acid
CID 87230860
(2-acetamido-1,3-thiazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 31645353

Frequently Asked Questions

What is the IUPAC name of N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-methyl-2-(2-methylpropoxy)phenyl]oxamide?
The IUPAC name of N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-methyl-2-(2-methylpropoxy)phenyl]oxamide (CID 87230669) is N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-methyl-2-(2-methylpropoxy)phenyl]oxamide.
What is the SMILES notation for N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-methyl-2-(2-methylpropoxy)phenyl]oxamide?
The canonical SMILES for N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-methyl-2-(2-methylpropoxy)phenyl]oxamide is Cc1ccc(NC(=O)C(=O)Nc2nc(CNS(C)(=O)=O)cs2)c(OCC(C)C)c1.
What is the InChIKey of N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-methyl-2-(2-methylpropoxy)phenyl]oxamide?
The InChIKey is KPWYDUMQQCBVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S2/c1-11(2)9-27-15-7-12(3)5-6-14(15)21-16(23)17(24)22-18-20-13(10-28-18)8-19-29(4,25)26/h5-7,10-11,19H,8-9H2,1-4H3,(H,21,23)(H,20,22,24).
What are the key properties of N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-methyl-2-(2-methylpropoxy)phenyl]oxamide?
N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-methyl-2-(2-methylpropoxy)phenyl]oxamide has a molecular weight of 440.55 g/mol, XLogP of 2.11, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-methyl-2-(2-methylpropoxy)phenyl]oxamide is sourced from PubChem (CID 87230669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).