N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]cyclopentanecarboxamide

C15H20N2O4S — CID 140520706

IUPACN-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]cyclopentanecarboxamide
SMILESCN1CCOc2cc(S(=O)(=O)NC(=O)C3CCCC3)ccc21
InChIInChI=1S/C15H20N2O4S/c1-17-8-9-21-14-10-12(6-7-13(14)17)22(19,20)16-15(18)11-4-2-3-5-11/h6-7,10-11H,2-5,8-9H2,1H3,(H,16,18)
InChIKeySRTVFEMMPLKHBE-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.51
Rot. Bonds3

About N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]cyclopentanecarboxamide

N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]cyclopentanecarboxamide (PubChem CID 140520706) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]cyclopentanecarboxamide
PubChem CID140520706
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC NameN-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]cyclopentanecarboxamide
SMILESCN1CCOc2cc(S(=O)(=O)NC(=O)C3CCCC3)ccc21
InChIInChI=1S/C15H20N2O4S/c1-17-8-9-21-14-10-12(6-7-13(14)17)22(19,20)16-15(18)11-4-2-3-5-11/h6-7,10-11H,2-5,8-9H2,1H3,(H,16,18)
InChIKeySRTVFEMMPLKHBE-UHFFFAOYSA-N
XLogP1.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 69448838
N-(cyclopropylmethyl)-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carboxamide
CID 58702059
4-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine
CID 141196357
4-acetyl-N-cycloheptyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 126457873
methyl (2S,4R)-1-methyl-4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonylamino]pyrrolidine-2-carboxylate
CID 50958146
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110639743
methyl (2S,4R)-4-hydroxy-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]piperidine-2-carboxylate
CID 133121013
1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonylamino]-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
CID 57335530
3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzenesulfonamide
CID 110639725
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)cyclopentanecarboxamide
CID 16812651
N-cyclopentyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 22550805
N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 24815719

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]cyclopentanecarboxamide?
The IUPAC name of N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]cyclopentanecarboxamide (CID 140520706) is N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]cyclopentanecarboxamide is CN1CCOc2cc(S(=O)(=O)NC(=O)C3CCCC3)ccc21.
What is the InChIKey of N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]cyclopentanecarboxamide?
The InChIKey is SRTVFEMMPLKHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-17-8-9-21-14-10-12(6-7-13(14)17)22(19,20)16-15(18)11-4-2-3-5-11/h6-7,10-11H,2-5,8-9H2,1H3,(H,16,18).
What are the key properties of N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]cyclopentanecarboxamide?
N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]cyclopentanecarboxamide has a molecular weight of 324.40 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]cyclopentanecarboxamide is sourced from PubChem (CID 140520706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).