(2S)-N-cycloheptyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)propanamide

C21H28N2O4S2 — CID 41073692

IUPAC(2S)-N-cycloheptyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)propanamide
SMILESCOc1ccccc1N([C@@H](C)C(=O)NC1CCCCCC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C21H28N2O4S2/c1-16(21(24)22-17-10-5-3-4-6-11-17)23(18-12-7-8-13-19(18)27-2)29(25,26)20-14-9-15-28-20/h7-9,12-17H,3-6,10-11H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyOWXLHBLJCBKWTR-INIZCTEOSA-N
MW436.60 g/mol
LogP4.18
Rot. Bonds7

About (2S)-N-cycloheptyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)propanamide

(2S)-N-cycloheptyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)propanamide (PubChem CID 41073692) has the molecular formula C21H28N2O4S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is (2S)-N-cycloheptyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-cycloheptyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)propanamide
PubChem CID41073692
Molecular FormulaC21H28N2O4S2
Molecular Weight436.60 g/mol
Exact Mass436.15
IUPAC Name(2S)-N-cycloheptyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)propanamide
SMILESCOc1ccccc1N([C@@H](C)C(=O)NC1CCCCCC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C21H28N2O4S2/c1-16(21(24)22-17-10-5-3-4-6-11-17)23(18-12-7-8-13-19(18)27-2)29(25,26)20-14-9-15-28-20/h7-9,12-17H,3-6,10-11H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyOWXLHBLJCBKWTR-INIZCTEOSA-N
XLogP4.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)propanamide
CID 40854998
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7966742
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-methylcyclohexyl)acetamide
CID 4297432
N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide
CID 51565179
N-cyclopentyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30256064
N-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 20965302
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide
CID 3139224
(2S)-N-cyclohexyl-2-[[2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100514155
(2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide
CID 700516
2-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132635236
(2R)-2-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 125049885
2-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132634366

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cycloheptyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)propanamide?
The IUPAC name of (2S)-N-cycloheptyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)propanamide (CID 41073692) is (2S)-N-cycloheptyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)propanamide.
What is the SMILES notation for (2S)-N-cycloheptyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)propanamide?
The canonical SMILES for (2S)-N-cycloheptyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)propanamide is COc1ccccc1N([C@@H](C)C(=O)NC1CCCCCC1)S(=O)(=O)c1cccs1.
What is the InChIKey of (2S)-N-cycloheptyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)propanamide?
The InChIKey is OWXLHBLJCBKWTR-INIZCTEOSA-N. The full InChI is InChI=1S/C21H28N2O4S2/c1-16(21(24)22-17-10-5-3-4-6-11-17)23(18-12-7-8-13-19(18)27-2)29(25,26)20-14-9-15-28-20/h7-9,12-17H,3-6,10-11H2,1-2H3,(H,22,24)/t16-/m0/s1.
What are the key properties of (2S)-N-cycloheptyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)propanamide?
(2S)-N-cycloheptyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)propanamide has a molecular weight of 436.60 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cycloheptyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)propanamide is sourced from PubChem (CID 41073692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).