(2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide

C18H28N2O4S — CID 1326575

IUPAC(2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N([C@H](C)C(=O)NC2CCCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H28N2O4S/c1-14(18(21)19-15-8-6-4-5-7-9-15)20(25(3,22)23)16-10-12-17(24-2)13-11-16/h10-15H,4-9H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeySQPCWNLUPYGYTH-CQSZACIVSA-N
MW368.50 g/mol
LogP2.69
Rot. Bonds6

About (2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide

(2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 1326575) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is (2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID1326575
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name(2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N([C@H](C)C(=O)NC2CCCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H28N2O4S/c1-14(18(21)19-15-8-6-4-5-7-9-15)20(25(3,22)23)16-10-12-17(24-2)13-11-16/h10-15H,4-9H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeySQPCWNLUPYGYTH-CQSZACIVSA-N
XLogP2.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126032376
N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 3355397
(2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2236603
(2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide
CID 700516
(2R)-N-cyclohexyl-2-(4-methoxy-N-methylsulfonylanilino)-N-methylpropanamide
CID 99958114
N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 2969148
(2R)-N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 126031838
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 3143443
(2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2231178
N-(1-hydrazinyl-1-oxopropan-2-yl)-N-(4-methoxyphenyl)methanesulfonamide
CID 91671599
(2S)-N-cyclohexyl-2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100513525
(2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide
CID 807275

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide (CID 1326575) is (2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide is COc1ccc(N([C@H](C)C(=O)NC2CCCCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is SQPCWNLUPYGYTH-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-14(18(21)19-15-8-6-4-5-7-9-15)20(25(3,22)23)16-10-12-17(24-2)13-11-16/h10-15H,4-9H2,1-3H3,(H,19,21)/t14-/m1/s1.
What are the key properties of (2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
(2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 368.50 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 1326575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).