N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide

C15H18N2O3S — CID 107301495

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCC1OCCC1(O)CNC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C15H18N2O3S/c1-11-15(19,5-8-20-11)10-16-14(18)13-12(4-9-21-13)17-6-2-3-7-17/h2-4,6-7,9,11,19H,5,8,10H2,1H3,(H,16,18)
InChIKeyMPRFAWVXVUGZDE-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.81
Rot. Bonds4

About N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 107301495) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID107301495
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCC1OCCC1(O)CNC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C15H18N2O3S/c1-11-15(19,5-8-20-11)10-16-14(18)13-12(4-9-21-13)17-6-2-3-7-17/h2-4,6-7,9,11,19H,5,8,10H2,1H3,(H,16,18)
InChIKeyMPRFAWVXVUGZDE-UHFFFAOYSA-N
XLogP1.81
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
CID 107301506
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide
CID 107301897
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide
CID 107302098
N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 100735307
4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301763
N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 65031882
2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide
CID 107301454
3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea
CID 107268631
N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpyridine-2-carboxamide
CID 107301519
3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 43354881
N-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 104857152

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide (CID 107301495) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide is CC1OCCC1(O)CNC(=O)c1sccc1-n1cccc1.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is MPRFAWVXVUGZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-15(19,5-8-20-11)10-16-14(18)13-12(4-9-21-13)17-6-2-3-7-17/h2-4,6-7,9,11,19H,5,8,10H2,1H3,(H,16,18).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 107301495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).