2-chloro-N,N-dimethyl-4-[5-[1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]benzamide

C23H23ClN4O3S2 — CID 167622406

IUPAC2-chloro-N,N-dimethyl-4-[5-[1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1ccccc1S(=O)(=O)N1CC=C(c2nnc(-c3ccc(C(=O)N(C)C)c(Cl)c3)s2)CC1
InChIInChI=1S/C23H23ClN4O3S2/c1-15-6-4-5-7-20(15)33(30,31)28-12-10-16(11-13-28)21-25-26-22(32-21)17-8-9-18(19(24)14-17)23(29)27(2)3/h4-10,14H,11-13H2,1-3H3
InChIKeyMPYOURAZOCHDSZ-UHFFFAOYSA-N
MW503.05 g/mol
LogP4.35
Rot. Bonds5

About 2-chloro-N,N-dimethyl-4-[5-[1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]benzamide

2-chloro-N,N-dimethyl-4-[5-[1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 167622406) has the molecular formula C23H23ClN4O3S2 and a molecular weight of 503.05 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-4-[5-[1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-4-[5-[1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID167622406
Molecular FormulaC23H23ClN4O3S2
Molecular Weight503.05 g/mol
Exact Mass502.09
IUPAC Name2-chloro-N,N-dimethyl-4-[5-[1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1ccccc1S(=O)(=O)N1CC=C(c2nnc(-c3ccc(C(=O)N(C)C)c(Cl)c3)s2)CC1
InChIInChI=1S/C23H23ClN4O3S2/c1-15-6-4-5-7-20(15)33(30,31)28-12-10-16(11-13-28)21-25-26-22(32-21)17-8-9-18(19(24)14-17)23(29)27(2)3/h4-10,14H,11-13H2,1-3H3
InChIKeyMPYOURAZOCHDSZ-UHFFFAOYSA-N
XLogP4.35
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.05
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N,N-dimethyl-4-[5-[1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-4-[5-[1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-chloro-N,N-dimethyl-4-[5-[1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]benzamide (CID 167622406) is 2-chloro-N,N-dimethyl-4-[5-[1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-4-[5-[1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-4-[5-[1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]benzamide is Cc1ccccc1S(=O)(=O)N1CC=C(c2nnc(-c3ccc(C(=O)N(C)C)c(Cl)c3)s2)CC1.
What is the InChIKey of 2-chloro-N,N-dimethyl-4-[5-[1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is MPYOURAZOCHDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3S2/c1-15-6-4-5-7-20(15)33(30,31)28-12-10-16(11-13-28)21-25-26-22(32-21)17-8-9-18(19(24)14-17)23(29)27(2)3/h4-10,14H,11-13H2,1-3H3.
What are the key properties of 2-chloro-N,N-dimethyl-4-[5-[1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]benzamide?
2-chloro-N,N-dimethyl-4-[5-[1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 503.05 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-4-[5-[1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 167622406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).