N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]-N-methylthiophene-3-carboxamide

C18H17N3O3S — CID 71887459

IUPACN-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]-N-methylthiophene-3-carboxamide
SMILESCN(CC(=O)Nc1ccc2oc(C3CC3)nc2c1)C(=O)c1ccsc1
InChIInChI=1S/C18H17N3O3S/c1-21(18(23)12-6-7-25-10-12)9-16(22)19-13-4-5-15-14(8-13)20-17(24-15)11-2-3-11/h4-8,10-11H,2-3,9H2,1H3,(H,19,22)
InChIKeyNEZZXCPVVDKKSY-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.48
Rot. Bonds5

About N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]-N-methylthiophene-3-carboxamide

N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]-N-methylthiophene-3-carboxamide (PubChem CID 71887459) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]-N-methylthiophene-3-carboxamide
PubChem CID71887459
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]-N-methylthiophene-3-carboxamide
SMILESCN(CC(=O)Nc1ccc2oc(C3CC3)nc2c1)C(=O)c1ccsc1
InChIInChI=1S/C18H17N3O3S/c1-21(18(23)12-6-7-25-10-12)9-16(22)19-13-4-5-15-14(8-13)20-17(24-15)11-2-3-11/h4-8,10-11H,2-3,9H2,1H3,(H,19,22)
InChIKeyNEZZXCPVVDKKSY-UHFFFAOYSA-N
XLogP3.48
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]-N-methylthiophene-3-carboxamide?
The IUPAC name of N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]-N-methylthiophene-3-carboxamide (CID 71887459) is N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]-N-methylthiophene-3-carboxamide is CN(CC(=O)Nc1ccc2oc(C3CC3)nc2c1)C(=O)c1ccsc1.
What is the InChIKey of N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]-N-methylthiophene-3-carboxamide?
The InChIKey is NEZZXCPVVDKKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-21(18(23)12-6-7-25-10-12)9-16(22)19-13-4-5-15-14(8-13)20-17(24-15)11-2-3-11/h4-8,10-11H,2-3,9H2,1H3,(H,19,22).
What are the key properties of N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]-N-methylthiophene-3-carboxamide?
N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]-N-methylthiophene-3-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 71887459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).