2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide

C21H24ClN5O3S2 — CID 121445784

IUPAC2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1nc(NC(=O)CN)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H24ClN5O3S2/c1-12-18(31-20(25-12)26-17(28)10-23)13-9-16(19(22)24-11-13)27-32(29,30)15-7-5-14(6-8-15)21(2,3)4/h5-9,11,27H,10,23H2,1-4H3,(H,25,26,28)
InChIKeyYCVQOWKBUVDTOG-UHFFFAOYSA-N
MW494.04 g/mol
LogP4.16
Rot. Bonds6

About 2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide

2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 121445784) has the molecular formula C21H24ClN5O3S2 and a molecular weight of 494.04 g/mol. Its IUPAC name is 2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID121445784
Molecular FormulaC21H24ClN5O3S2
Molecular Weight494.04 g/mol
Exact Mass493.10
IUPAC Name2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1nc(NC(=O)CN)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H24ClN5O3S2/c1-12-18(31-20(25-12)26-17(28)10-23)13-9-16(19(22)24-11-13)27-32(29,30)15-7-5-14(6-8-15)21(2,3)4/h5-9,11,27H,10,23H2,1-4H3,(H,25,26,28)
InChIKeyYCVQOWKBUVDTOG-UHFFFAOYSA-N
XLogP4.16
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.04
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[6-[6-Chloro-5-[[(4-fluorophenyl)sulfonyl]amino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 50990924
N-[5-(5-benzenesulphonamido-6-chloropyridin-3-yl)-4-methylthiazol-2-yl]acetamide
CID 11541283
N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 44623107
n-(6-(6-Chloro-5-(3-(trifluoromethyl)phenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51354879
n-(6-(6-Chloro-5-(4-(trifluoromethyl)phenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51354880
n-(6-(6-Chloro-5-(3-chlorophenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51354882
N-(6-(6-chloro-5-(4-chlorophenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51354883
n-(6-(5-(3-Tert-butylphenylsulfonamido)-6-chloropyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51355171
N-(6-(6-Chloro-5-(4-tert-butylphenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51355172
N-[2-[[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 121445752
N-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 11647899
N-[6-[6-chloro-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 51354878

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 121445784) is 2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide is Cc1nc(NC(=O)CN)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is YCVQOWKBUVDTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O3S2/c1-12-18(31-20(25-12)26-17(28)10-23)13-9-16(19(22)24-11-13)27-32(29,30)15-7-5-14(6-8-15)21(2,3)4/h5-9,11,27H,10,23H2,1-4H3,(H,25,26,28).
What are the key properties of 2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 494.04 g/mol, XLogP of 4.16, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 121445784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).