N-[(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentyl]-1-methylindole-3-carboxamide

C20H24N4O4S — CID 146041544

IUPACN-[(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentyl]-1-methylindole-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H]1CC[C@H](NC(=O)c2cn(C)c3ccccc23)C1
InChIInChI=1S/C20H24N4O4S/c1-12-19(13(2)28-22-12)29(26,27)23-15-9-8-14(10-15)21-20(25)17-11-24(3)18-7-5-4-6-16(17)18/h4-7,11,14-15,23H,8-10H2,1-3H3,(H,21,25)/t14-,15+/m0/s1
InChIKeyUGWTURCDAIIPON-LSDHHAIUSA-N
MW416.50 g/mol
LogP2.41
Rot. Bonds5

About N-[(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentyl]-1-methylindole-3-carboxamide

N-[(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentyl]-1-methylindole-3-carboxamide (PubChem CID 146041544) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentyl]-1-methylindole-3-carboxamide
PubChem CID146041544
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC NameN-[(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentyl]-1-methylindole-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H]1CC[C@H](NC(=O)c2cn(C)c3ccccc23)C1
InChIInChI=1S/C20H24N4O4S/c1-12-19(13(2)28-22-12)29(26,27)23-15-9-8-14(10-15)21-20(25)17-11-24(3)18-7-5-4-6-16(17)18/h4-7,11,14-15,23H,8-10H2,1-3H3,(H,21,25)/t14-,15+/m0/s1
InChIKeyUGWTURCDAIIPON-LSDHHAIUSA-N
XLogP2.41
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentyl]-1-methylindole-3-carboxamide (CID 146041544) is N-[(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentyl]-1-methylindole-3-carboxamide is Cc1noc(C)c1S(=O)(=O)N[C@@H]1CC[C@H](NC(=O)c2cn(C)c3ccccc23)C1.
What is the InChIKey of N-[(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentyl]-1-methylindole-3-carboxamide?
The InChIKey is UGWTURCDAIIPON-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-12-19(13(2)28-22-12)29(26,27)23-15-9-8-14(10-15)21-20(25)17-11-24(3)18-7-5-4-6-16(17)18/h4-7,11,14-15,23H,8-10H2,1-3H3,(H,21,25)/t14-,15+/m0/s1.
What are the key properties of N-[(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentyl]-1-methylindole-3-carboxamide?
N-[(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentyl]-1-methylindole-3-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 146041544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).