N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide

C21H30N2O4S — CID 124727033

IUPACN-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C21H30N2O4S/c1-27-19-11-7-16(13-20(19)28(25,26)23-17-9-10-17)21(24)22-18-8-6-14-4-2-3-5-15(14)12-18/h7,11,13-15,17-18,23H,2-6,8-10,12H2,1H3,(H,22,24)/t14-,15+,18-/m1/s1
InChIKeyCMDMUKBAGOZXIO-RVKKMQEKSA-N
MW406.55 g/mol
LogP3.22
Rot. Bonds6

About N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide

N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide (PubChem CID 124727033) has the molecular formula C21H30N2O4S and a molecular weight of 406.55 g/mol. Its IUPAC name is N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
PubChem CID124727033
Molecular FormulaC21H30N2O4S
Molecular Weight406.55 g/mol
Exact Mass406.19
IUPAC NameN-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C21H30N2O4S/c1-27-19-11-7-16(13-20(19)28(25,26)23-17-9-10-17)21(24)22-18-8-6-14-4-2-3-5-15(14)12-18/h7,11,13-15,17-18,23H,2-6,8-10,12H2,1H3,(H,22,24)/t14-,15+,18-/m1/s1
InChIKeyCMDMUKBAGOZXIO-RVKKMQEKSA-N
XLogP3.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide with MolForge

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Related Compounds

cis-(1R,3S)-3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677585
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide
CID 119450739
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 17439024
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119501094
3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194
3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide
CID 26516485
3-(cyclopropylsulfamoyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 46554772
4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46799189
4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide (CID 124727033) is N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
The InChIKey is CMDMUKBAGOZXIO-RVKKMQEKSA-N. The full InChI is InChI=1S/C21H30N2O4S/c1-27-19-11-7-16(13-20(19)28(25,26)23-17-9-10-17)21(24)22-18-8-6-14-4-2-3-5-15(14)12-18/h7,11,13-15,17-18,23H,2-6,8-10,12H2,1H3,(H,22,24)/t14-,15+,18-/m1/s1.
What are the key properties of N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide?
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide has a molecular weight of 406.55 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 124727033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).