N-cyclopropyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide

C16H21N3O4S — CID 119055173

IUPACN-cyclopropyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide
SMILESO=C1CCCc2cc(S(=O)(=O)NCCC(=O)NC3CC3)ccc2N1
InChIInChI=1S/C16H21N3O4S/c20-15-3-1-2-11-10-13(6-7-14(11)19-15)24(22,23)17-9-8-16(21)18-12-4-5-12/h6-7,10,12,17H,1-5,8-9H2,(H,18,21)(H,19,20)
InChIKeyLLCQEXVFCASGBM-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.91
Rot. Bonds6

About N-cyclopropyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide

N-cyclopropyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide (PubChem CID 119055173) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-cyclopropyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide
PubChem CID119055173
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-cyclopropyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide
SMILESO=C1CCCc2cc(S(=O)(=O)NCCC(=O)NC3CC3)ccc2N1
InChIInChI=1S/C16H21N3O4S/c20-15-3-1-2-11-10-13(6-7-14(11)19-15)24(22,23)17-9-8-16(21)18-12-4-5-12/h6-7,10,12,17H,1-5,8-9H2,(H,18,21)(H,19,20)
InChIKeyLLCQEXVFCASGBM-UHFFFAOYSA-N
XLogP0.91
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106789
N-[2-(4-methylphenyl)ethyl]-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide
CID 46282286
3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 45106746
N-(3-aminopropyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 119962110
N-[3-(methylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 119964840
N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927826
4-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]pentanamide
CID 46335917
N-(2-hydroxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 96667560
4-[[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]methyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 46335868
N-[(4-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 122175155
N-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide
CID 9165528
N-cyclopentyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 39896851

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide (CID 119055173) is N-cyclopropyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide is O=C1CCCc2cc(S(=O)(=O)NCCC(=O)NC3CC3)ccc2N1.
What is the InChIKey of N-cyclopropyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide?
The InChIKey is LLCQEXVFCASGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c20-15-3-1-2-11-10-13(6-7-14(11)19-15)24(22,23)17-9-8-16(21)18-12-4-5-12/h6-7,10,12,17H,1-5,8-9H2,(H,18,21)(H,19,20).
What are the key properties of N-cyclopropyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide?
N-cyclopropyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide has a molecular weight of 351.43 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide is sourced from PubChem (CID 119055173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).