N-(3-chloro-4-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

C20H23ClN2O4S — CID 24536423

IUPACN-(3-chloro-4-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1Cl
InChIInChI=1S/C20H23ClN2O4S/c1-27-19-9-7-16(13-18(19)21)23-20(24)10-11-22-28(25,26)17-8-6-14-4-2-3-5-15(14)12-17/h6-9,12-13,22H,2-5,10-11H2,1H3,(H,23,24)
InChIKeyMLFZWZCQFAKFCP-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.53
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

N-(3-chloro-4-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (PubChem CID 24536423) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
PubChem CID24536423
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1Cl
InChIInChI=1S/C20H23ClN2O4S/c1-27-19-9-7-16(13-18(19)21)23-20(24)10-11-22-28(25,26)17-8-6-14-4-2-3-5-15(14)12-17/h6-9,12-13,22H,2-5,10-11H2,1H3,(H,23,24)
InChIKeyMLFZWZCQFAKFCP-UHFFFAOYSA-N
XLogP3.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24535951
4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 9441800
N-(3-chloro-4-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26822921
N-ethyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 26371339
N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2402359
N-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 5055466
3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide
CID 86884406
N-[4-methyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide
CID 55711548
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 9495362
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24610754
N-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 55845943

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (CID 24536423) is N-(3-chloro-4-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is MLFZWZCQFAKFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-27-19-9-7-16(13-18(19)21)23-20(24)10-11-22-28(25,26)17-8-6-14-4-2-3-5-15(14)12-17/h6-9,12-13,22H,2-5,10-11H2,1H3,(H,23,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
N-(3-chloro-4-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 422.93 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 24536423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).