CID 110211878

C20H21ClN4O3S — CID 110211878

IUPAC—
SMILESCc1ncsc1C(=O)N1CCC2(CC1)CC1(CO2)NC(=O)c2cc(Cl)ccc2N1
InChIInChI=1S/C20H21ClN4O3S/c1-12-16(29-11-22-12)18(27)25-6-4-19(5-7-25)9-20(10-28-19)23-15-3-2-13(21)8-14(15)17(26)24-20/h2-3,8,11,23H,4-7,9-10H2,1H3,(H,24,26)
InChIKeyFKAAXFALTQUHPD-UHFFFAOYSA-N
MW432.93 g/mol
LogP3.05
Rot. Bonds1

About CID 110211878

CID 110211878 (PubChem CID 110211878) has the molecular formula C20H21ClN4O3S and a molecular weight of 432.93 g/mol.

Molecular Properties

Compound NameCID 110211878
PubChem CID110211878
Molecular FormulaC20H21ClN4O3S
Molecular Weight432.93 g/mol
Exact Mass432.10
IUPAC Name—
SMILESCc1ncsc1C(=O)N1CCC2(CC1)CC1(CO2)NC(=O)c2cc(Cl)ccc2N1
InChIInChI=1S/C20H21ClN4O3S/c1-12-16(29-11-22-12)18(27)25-6-4-19(5-7-25)9-20(10-28-19)23-15-3-2-13(21)8-14(15)17(26)24-20/h2-3,8,11,23H,4-7,9-10H2,1H3,(H,24,26)
InChIKeyFKAAXFALTQUHPD-UHFFFAOYSA-N
XLogP3.05
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 110211878?
The IUPAC name of CID 110211878 (CID 110211878) is not available.
What is the SMILES notation for CID 110211878?
The canonical SMILES for CID 110211878 is Cc1ncsc1C(=O)N1CCC2(CC1)CC1(CO2)NC(=O)c2cc(Cl)ccc2N1.
What is the InChIKey of CID 110211878?
The InChIKey is FKAAXFALTQUHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3S/c1-12-16(29-11-22-12)18(27)25-6-4-19(5-7-25)9-20(10-28-19)23-15-3-2-13(21)8-14(15)17(26)24-20/h2-3,8,11,23H,4-7,9-10H2,1H3,(H,24,26).
What are the key properties of CID 110211878?
CID 110211878 has a molecular weight of 432.93 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 110211878 is sourced from PubChem (CID 110211878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).