N-[4-methyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide

C24H29N3O4S — CID 55711548

IUPACN-[4-methyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H29N3O4S/c1-16-6-10-20(26-24(29)18-7-8-18)15-22(16)27-23(28)12-13-25-32(30,31)21-11-9-17-4-2-3-5-19(17)14-21/h6,9-11,14-15,18,25H,2-5,7-8,12-13H2,1H3,(H,26,29)(H,27,28)
InChIKeyVXPLFJRBHIVGKM-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.53
Rot. Bonds8

About N-[4-methyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide

N-[4-methyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide (PubChem CID 55711548) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-[4-methyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide
PubChem CID55711548
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC NameN-[4-methyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H29N3O4S/c1-16-6-10-20(26-24(29)18-7-8-18)15-22(16)27-23(28)12-13-25-32(30,31)21-11-9-17-4-2-3-5-19(17)14-21/h6,9-11,14-15,18,25H,2-5,7-8,12-13H2,1H3,(H,26,29)(H,27,28)
InChIKeyVXPLFJRBHIVGKM-UHFFFAOYSA-N
XLogP3.53
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 9441800
N-(3-chloro-4-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24536423
N-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24535951
N-(cyclopropylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24667154
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 46467570
N-(cyclopentylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 43067731
N-ethyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 26371339
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 55540409
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370456
4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)-N-(2,4,5-trifluorophenyl)butanamide
CID 86893320
N-[3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]cyclopropanecarboxamide
CID 35541261
N-(4-methyl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 43036913

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-methyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide (CID 55711548) is N-[4-methyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-methyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-methyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide is Cc1ccc(NC(=O)C2CC2)cc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[4-methyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is VXPLFJRBHIVGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-16-6-10-20(26-24(29)18-7-8-18)15-22(16)27-23(28)12-13-25-32(30,31)21-11-9-17-4-2-3-5-19(17)14-21/h6,9-11,14-15,18,25H,2-5,7-8,12-13H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[4-methyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide?
N-[4-methyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 455.58 g/mol, XLogP of 3.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55711548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).