N-(cyclohexylmethyl)-2-[3-[2-(cyclohexylmethylamino)-2-oxoethyl]-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]acetamide

C24H36N4O4S — CID 55602625

IUPACN-(cyclohexylmethyl)-2-[3-[2-(cyclohexylmethylamino)-2-oxoethyl]-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]acetamide
SMILESO=C(CN1c2ccccc2N(CC(=O)NCC2CCCCC2)S1(=O)=O)NCC1CCCCC1
InChIInChI=1S/C24H36N4O4S/c29-23(25-15-19-9-3-1-4-10-19)17-27-21-13-7-8-14-22(21)28(33(27,31)32)18-24(30)26-16-20-11-5-2-6-12-20/h7-8,13-14,19-20H,1-6,9-12,15-18H2,(H,25,29)(H,26,30)
InChIKeyBPLZLZGPYWNMKW-UHFFFAOYSA-N
MW476.64 g/mol
LogP2.95
Rot. Bonds8

About N-(cyclohexylmethyl)-2-[3-[2-(cyclohexylmethylamino)-2-oxoethyl]-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]acetamide

N-(cyclohexylmethyl)-2-[3-[2-(cyclohexylmethylamino)-2-oxoethyl]-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]acetamide (PubChem CID 55602625) has the molecular formula C24H36N4O4S and a molecular weight of 476.64 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[3-[2-(cyclohexylmethylamino)-2-oxoethyl]-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[3-[2-(cyclohexylmethylamino)-2-oxoethyl]-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]acetamide
PubChem CID55602625
Molecular FormulaC24H36N4O4S
Molecular Weight476.64 g/mol
Exact Mass476.25
IUPAC NameN-(cyclohexylmethyl)-2-[3-[2-(cyclohexylmethylamino)-2-oxoethyl]-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]acetamide
SMILESO=C(CN1c2ccccc2N(CC(=O)NCC2CCCCC2)S1(=O)=O)NCC1CCCCC1
InChIInChI=1S/C24H36N4O4S/c29-23(25-15-19-9-3-1-4-10-19)17-27-21-13-7-8-14-22(21)28(33(27,31)32)18-24(30)26-16-20-11-5-2-6-12-20/h7-8,13-14,19-20H,1-6,9-12,15-18H2,(H,25,29)(H,26,30)
InChIKeyBPLZLZGPYWNMKW-UHFFFAOYSA-N
XLogP2.95
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.64
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[3-[2-(cyclohexylmethylamino)-2-oxoethyl]-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[3-[2-(cyclohexylmethylamino)-2-oxoethyl]-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]acetamide (CID 55602625) is N-(cyclohexylmethyl)-2-[3-[2-(cyclohexylmethylamino)-2-oxoethyl]-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[3-[2-(cyclohexylmethylamino)-2-oxoethyl]-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[3-[2-(cyclohexylmethylamino)-2-oxoethyl]-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]acetamide is O=C(CN1c2ccccc2N(CC(=O)NCC2CCCCC2)S1(=O)=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[3-[2-(cyclohexylmethylamino)-2-oxoethyl]-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]acetamide?
The InChIKey is BPLZLZGPYWNMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O4S/c29-23(25-15-19-9-3-1-4-10-19)17-27-21-13-7-8-14-22(21)28(33(27,31)32)18-24(30)26-16-20-11-5-2-6-12-20/h7-8,13-14,19-20H,1-6,9-12,15-18H2,(H,25,29)(H,26,30).
What are the key properties of N-(cyclohexylmethyl)-2-[3-[2-(cyclohexylmethylamino)-2-oxoethyl]-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]acetamide?
N-(cyclohexylmethyl)-2-[3-[2-(cyclohexylmethylamino)-2-oxoethyl]-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]acetamide has a molecular weight of 476.64 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[3-[2-(cyclohexylmethylamino)-2-oxoethyl]-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]acetamide is sourced from PubChem (CID 55602625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).