N-(4-methyl-1,3-thiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-phenylbenzamide

C21H21N3O4S2 — CID 2542465

IUPACN-(4-methyl-1,3-thiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-phenylbenzamide
SMILESCc1csc(N(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2)n1
InChIInChI=1S/C21H21N3O4S2/c1-16-15-29-21(22-16)24(18-5-3-2-4-6-18)20(25)17-7-9-19(10-8-17)30(26,27)23-11-13-28-14-12-23/h2-10,15H,11-14H2,1H3
InChIKeyINECIEMBMPMBJY-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.45
Rot. Bonds5

About N-(4-methyl-1,3-thiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-phenylbenzamide

N-(4-methyl-1,3-thiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-phenylbenzamide (PubChem CID 2542465) has the molecular formula C21H21N3O4S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-phenylbenzamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-phenylbenzamide
PubChem CID2542465
Molecular FormulaC21H21N3O4S2
Molecular Weight443.55 g/mol
Exact Mass443.10
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-phenylbenzamide
SMILESCc1csc(N(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2)n1
InChIInChI=1S/C21H21N3O4S2/c1-16-15-29-21(22-16)24(18-5-3-2-4-6-18)20(25)17-7-9-19(10-8-17)30(26,27)23-11-13-28-14-12-23/h2-10,15H,11-14H2,1H3
InChIKeyINECIEMBMPMBJY-UHFFFAOYSA-N
XLogP3.45
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-phenylbenzamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-phenylbenzamide (CID 2542465) is N-(4-methyl-1,3-thiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-phenylbenzamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-phenylbenzamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-phenylbenzamide is Cc1csc(N(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-phenylbenzamide?
The InChIKey is INECIEMBMPMBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S2/c1-16-15-29-21(22-16)24(18-5-3-2-4-6-18)20(25)17-7-9-19(10-8-17)30(26,27)23-11-13-28-14-12-23/h2-10,15H,11-14H2,1H3.
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-phenylbenzamide?
N-(4-methyl-1,3-thiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-phenylbenzamide has a molecular weight of 443.55 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-phenylbenzamide is sourced from PubChem (CID 2542465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).