(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide

C19H28N4O5S — CID 55941778

IUPAC(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C19H28N4O5S/c1-13-18(15(3)28-21-13)29(25,26)22-14(2)19(24)20-12-16(17-8-7-11-27-17)23-9-5-4-6-10-23/h7-8,11,14,16,22H,4-6,9-10,12H2,1-3H3,(H,20,24)/t14-,16?/m0/s1
InChIKeySNEVMVJTLLXZST-LBAUFKAWSA-N
MW424.52 g/mol
LogP1.89
Rot. Bonds8

About (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide

(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide (PubChem CID 55941778) has the molecular formula C19H28N4O5S and a molecular weight of 424.52 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide
PubChem CID55941778
Molecular FormulaC19H28N4O5S
Molecular Weight424.52 g/mol
Exact Mass424.18
IUPAC Name(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C19H28N4O5S/c1-13-18(15(3)28-21-13)29(25,26)22-14(2)19(24)20-12-16(17-8-7-11-27-17)23-9-5-4-6-10-23/h7-8,11,14,16,22H,4-6,9-10,12H2,1-3H3,(H,20,24)/t14-,16?/m0/s1
InChIKeySNEVMVJTLLXZST-LBAUFKAWSA-N
XLogP1.89
TPSA117.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 25161941
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide
CID 51925027
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 18080011
N-[(2S)-1-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 2481546
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 94180275
(2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 79023553
(2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide
CID 40613576
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 26833968
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 46809468
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 63789729

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide?
The IUPAC name of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide (CID 55941778) is (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide.
What is the SMILES notation for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide?
The canonical SMILES for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide is Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide?
The InChIKey is SNEVMVJTLLXZST-LBAUFKAWSA-N. The full InChI is InChI=1S/C19H28N4O5S/c1-13-18(15(3)28-21-13)29(25,26)22-14(2)19(24)20-12-16(17-8-7-11-27-17)23-9-5-4-6-10-23/h7-8,11,14,16,22H,4-6,9-10,12H2,1-3H3,(H,20,24)/t14-,16?/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide?
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide has a molecular weight of 424.52 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide is sourced from PubChem (CID 55941778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).