N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide

C15H30N4O5S — CID 20698797

IUPACN-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide
SMILESCC(NC(=O)CN1CCCC1)C(=O)NC(C)C(O)CN(C)S(C)(=O)=O
InChIInChI=1S/C15H30N4O5S/c1-11(13(20)9-18(3)25(4,23)24)17-15(22)12(2)16-14(21)10-19-7-5-6-8-19/h11-13,20H,5-10H2,1-4H3,(H,16,21)(H,17,22)
InChIKeyFGUNOCKYQJBZHG-UHFFFAOYSA-N
MW378.50 g/mol
LogP-1.66
Rot. Bonds9

About N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide

N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide (PubChem CID 20698797) has the molecular formula C15H30N4O5S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide
PubChem CID20698797
Molecular FormulaC15H30N4O5S
Molecular Weight378.50 g/mol
Exact Mass378.19
IUPAC NameN-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide
SMILESCC(NC(=O)CN1CCCC1)C(=O)NC(C)C(O)CN(C)S(C)(=O)=O
InChIInChI=1S/C15H30N4O5S/c1-11(13(20)9-18(3)25(4,23)24)17-15(22)12(2)16-14(21)10-19-7-5-6-8-19/h11-13,20H,5-10H2,1-4H3,(H,16,21)(H,17,22)
InChIKeyFGUNOCKYQJBZHG-UHFFFAOYSA-N
XLogP-1.66
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

CID 59930128
CID 59930128
2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 171701465
2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 86908322
N-[2-hydroxy-3-[methyl(phosphanyl)amino]butyl]-N-methylmethanesulfonamide
CID 18738504
2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 34782989
(2S)-N-[(2S,3R)-4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide
CID 59971895
N-methyl-2-[(2-piperazin-1-ylacetyl)amino]propanamide
CID 61467729
2-(azocan-1-yl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 125442415
N-[(2S)-1-methoxypropan-2-yl]-2-pyrrolidin-1-ylacetamide
CID 94784934
N,2-dimethyl-3-[methyl(methylsulfonyl)amino]propanamide
CID 103723774
2-[[2-(azepan-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 82042989
(2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide
CID 164701774

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide?
The IUPAC name of N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide (CID 20698797) is N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide.
What is the SMILES notation for N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide?
The canonical SMILES for N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide is CC(NC(=O)CN1CCCC1)C(=O)NC(C)C(O)CN(C)S(C)(=O)=O.
What is the InChIKey of N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide?
The InChIKey is FGUNOCKYQJBZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O5S/c1-11(13(20)9-18(3)25(4,23)24)17-15(22)12(2)16-14(21)10-19-7-5-6-8-19/h11-13,20H,5-10H2,1-4H3,(H,16,21)(H,17,22).
What are the key properties of N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide?
N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide has a molecular weight of 378.50 g/mol, XLogP of -1.66, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide is sourced from PubChem (CID 20698797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).