N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(2-ethylbenzimidazol-1-yl)acetamide

C19H27N3O3S — CID 2999268

IUPACN-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(2-ethylbenzimidazol-1-yl)acetamide
SMILESCCc1nc2ccccc2n1CC(=O)N(C(C)CC)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H27N3O3S/c1-4-14(3)22(15-10-11-26(24,25)13-15)19(23)12-21-17-9-7-6-8-16(17)20-18(21)5-2/h6-9,14-15H,4-5,10-13H2,1-3H3
InChIKeyIQEFMFZVQPFMHV-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.41
Rot. Bonds6

About N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(2-ethylbenzimidazol-1-yl)acetamide

N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(2-ethylbenzimidazol-1-yl)acetamide (PubChem CID 2999268) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(2-ethylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(2-ethylbenzimidazol-1-yl)acetamide
PubChem CID2999268
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC NameN-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(2-ethylbenzimidazol-1-yl)acetamide
SMILESCCc1nc2ccccc2n1CC(=O)N(C(C)CC)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H27N3O3S/c1-4-14(3)22(15-10-11-26(24,25)13-15)19(23)12-21-17-9-7-6-8-16(17)20-18(21)5-2/h6-9,14-15H,4-5,10-13H2,1-3H3
InChIKeyIQEFMFZVQPFMHV-UHFFFAOYSA-N
XLogP2.41
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(2-ethylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(2-ethylbenzimidazol-1-yl)acetamide (CID 2999268) is N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(2-ethylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(2-ethylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(2-ethylbenzimidazol-1-yl)acetamide is CCc1nc2ccccc2n1CC(=O)N(C(C)CC)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(2-ethylbenzimidazol-1-yl)acetamide?
The InChIKey is IQEFMFZVQPFMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-4-14(3)22(15-10-11-26(24,25)13-15)19(23)12-21-17-9-7-6-8-16(17)20-18(21)5-2/h6-9,14-15H,4-5,10-13H2,1-3H3.
What are the key properties of N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(2-ethylbenzimidazol-1-yl)acetamide?
N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(2-ethylbenzimidazol-1-yl)acetamide has a molecular weight of 377.51 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(2-ethylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 2999268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).