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

C21H22N4O3S2 — CID 138673588

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cccnc2)cc1)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C21H22N4O3S2/c1-21(2,18-13-29-20(24-18)25-30(27,28)17-9-10-17)19(26)23-16-7-5-14(6-8-16)15-4-3-11-22-12-15/h3-8,11-13,17H,9-10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyDPLOYGIYFRQQBR-UHFFFAOYSA-N
MW442.57 g/mol
LogP4.03
Rot. Bonds7

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

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide (PubChem CID 138673588) has the molecular formula C21H22N4O3S2 and a molecular weight of 442.57 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide
PubChem CID138673588
Molecular FormulaC21H22N4O3S2
Molecular Weight442.57 g/mol
Exact Mass442.11
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cccnc2)cc1)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C21H22N4O3S2/c1-21(2,18-13-29-20(24-18)25-30(27,28)17-9-10-17)19(26)23-16-7-5-14(6-8-16)15-4-3-11-22-12-15/h3-8,11-13,17H,9-10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyDPLOYGIYFRQQBR-UHFFFAOYSA-N
XLogP4.03
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
2-(2-cyclopropanesulfonamido-1,3-thiazol-4-yl)-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide
CID 138674003
N-[4-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
CID 972499
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-butyramide
CID 6487931
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
CID 1092458
5Ljk37NK4E
CID 21051363
2-[3-(methanesulfonamido)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 60097630
N-[3-[[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoylamino]methyl]phenyl]acetamide
CID 87408321
1-[[3-(Methanesulfonamido)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87408525
N-(3-{2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl}phenyl)acetamide
CID 2958469
3-[(4-Methylphenyl)sulfonyl]-N~1~-[4-(2-pyridyl)-1,3-thiazol-2-YL]propanamide
CID 22581360
(Z)-N-(4-(2-(2-(pyridin-4-ylmethylene)hydrazinyl)thiazol-4-yl)phenyl)acetamide hydrobromide
CID 44657420

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide (CID 138673588) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide is CC(C)(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-methyl-N-(4-pyridin-3-ylphenyl)propanamide?
The InChIKey is DPLOYGIYFRQQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S2/c1-21(2,18-13-29-20(24-18)25-30(27,28)17-9-10-17)19(26)23-16-7-5-14(6-8-16)15-4-3-11-22-12-15/h3-8,11-13,17H,9-10H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide has a molecular weight of 442.57 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide is sourced from PubChem (CID 138673588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).