N-cyclopropyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide

C20H22N2O3S — CID 55581868

IUPACN-cyclopropyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC1Oc2ccccc2N(CCC(=O)N(Cc2cccs2)C2CC2)C1=O
InChIInChI=1S/C20H22N2O3S/c1-14-20(24)21(17-6-2-3-7-18(17)25-14)11-10-19(23)22(15-8-9-15)13-16-5-4-12-26-16/h2-7,12,14-15H,8-11,13H2,1H3
InChIKeyDGCNBEQZVCOHBZ-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.44
Rot. Bonds6

About N-cyclopropyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide

N-cyclopropyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 55581868) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID55581868
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-cyclopropyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC1Oc2ccccc2N(CCC(=O)N(Cc2cccs2)C2CC2)C1=O
InChIInChI=1S/C20H22N2O3S/c1-14-20(24)21(17-6-2-3-7-18(17)25-14)11-10-19(23)22(15-8-9-15)13-16-5-4-12-26-16/h2-7,12,14-15H,8-11,13H2,1H3
InChIKeyDGCNBEQZVCOHBZ-UHFFFAOYSA-N
XLogP3.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclobutyl-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoyl]amino]acetic acid
CID 138005418
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532014
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 16572669
N-ethyl-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 134063240
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18164964
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 51535849
N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 78852295
4-[3-(azepan-1-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one
CID 51264814
N-(1-aminopropan-2-yl)-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 119583899
3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 4695008
4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one;hydrochloride
CID 119375541
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
CID 49356398

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of N-cyclopropyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 55581868) is N-cyclopropyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide is CC1Oc2ccccc2N(CCC(=O)N(Cc2cccs2)C2CC2)C1=O.
What is the InChIKey of N-cyclopropyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is DGCNBEQZVCOHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-14-20(24)21(17-6-2-3-7-18(17)25-14)11-10-19(23)22(15-8-9-15)13-16-5-4-12-26-16/h2-7,12,14-15H,8-11,13H2,1H3.
What are the key properties of N-cyclopropyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide?
N-cyclopropyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 370.47 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 55581868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).