2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxy-N-(4-pyridin-3-ylphenyl)acetamide

C20H20N4O4S2 — CID 138673721

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxy-N-(4-pyridin-3-ylphenyl)acetamide
SMILESCOC(C(=O)Nc1ccc(-c2cccnc2)cc1)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C20H20N4O4S2/c1-28-18(17-12-29-20(23-17)24-30(26,27)16-8-9-16)19(25)22-15-6-4-13(5-7-15)14-3-2-10-21-11-14/h2-7,10-12,16,18H,8-9H2,1H3,(H,22,25)(H,23,24)
InChIKeyPCQIGNDFBCVOIT-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.44
Rot. Bonds8

About 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxy-N-(4-pyridin-3-ylphenyl)acetamide

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxy-N-(4-pyridin-3-ylphenyl)acetamide (PubChem CID 138673721) has the molecular formula C20H20N4O4S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxy-N-(4-pyridin-3-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxy-N-(4-pyridin-3-ylphenyl)acetamide
PubChem CID138673721
Molecular FormulaC20H20N4O4S2
Molecular Weight444.54 g/mol
Exact Mass444.09
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxy-N-(4-pyridin-3-ylphenyl)acetamide
SMILESCOC(C(=O)Nc1ccc(-c2cccnc2)cc1)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C20H20N4O4S2/c1-28-18(17-12-29-20(23-17)24-30(26,27)16-8-9-16)19(25)22-15-6-4-13(5-7-15)14-3-2-10-21-11-14/h2-7,10-12,16,18H,8-9H2,1H3,(H,22,25)(H,23,24)
InChIKeyPCQIGNDFBCVOIT-UHFFFAOYSA-N
XLogP3.44
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methyl-N-(4-pyridin-3-ylphenyl)butanamide
CID 138673665
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-3-ylphenyl)prop-2-enamide
CID 138673575
2-(cyclopropylsulfonylamino)-N-(4-pyridin-3-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 138673819
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-isocyanophenyl]-2-methoxyacetamide
CID 155760126
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]butanamide
CID 138673764
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methoxyacetamide
CID 139509948
tert-butyl N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-[4-(6-ethoxypyrazin-2-yl)anilino]-2-oxoethyl]carbamate
CID 155162989
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-(6-pyridin-3-yl-3-pyridinyl)propanamide
CID 138673917
N-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide
CID 138673723
ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]butanoate
CID 138674013
N-[4-(3-cyanophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138673714
N-[4-(5-cyano-3-pyridinyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanamide
CID 138673927

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxy-N-(4-pyridin-3-ylphenyl)acetamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxy-N-(4-pyridin-3-ylphenyl)acetamide (CID 138673721) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxy-N-(4-pyridin-3-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxy-N-(4-pyridin-3-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxy-N-(4-pyridin-3-ylphenyl)acetamide is COC(C(=O)Nc1ccc(-c2cccnc2)cc1)c1csc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxy-N-(4-pyridin-3-ylphenyl)acetamide?
The InChIKey is PCQIGNDFBCVOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S2/c1-28-18(17-12-29-20(23-17)24-30(26,27)16-8-9-16)19(25)22-15-6-4-13(5-7-15)14-3-2-10-21-11-14/h2-7,10-12,16,18H,8-9H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxy-N-(4-pyridin-3-ylphenyl)acetamide?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxy-N-(4-pyridin-3-ylphenyl)acetamide has a molecular weight of 444.54 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxy-N-(4-pyridin-3-ylphenyl)acetamide is sourced from PubChem (CID 138673721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).