2-[[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]amino]thiophene-3-carboxamide

C13H21N3O3S — CID 62022573

IUPAC2-[[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]amino]thiophene-3-carboxamide
SMILESCC(C)N(CCCO)CC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C13H21N3O3S/c1-9(2)16(5-3-6-17)8-11(18)15-13-10(12(14)19)4-7-20-13/h4,7,9,17H,3,5-6,8H2,1-2H3,(H2,14,19)(H,15,18)
InChIKeyYWSNZRQMUBRESY-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.88
Rot. Bonds8

About 2-[[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]amino]thiophene-3-carboxamide

2-[[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]amino]thiophene-3-carboxamide (PubChem CID 62022573) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]amino]thiophene-3-carboxamide
PubChem CID62022573
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-[[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]amino]thiophene-3-carboxamide
SMILESCC(C)N(CCCO)CC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C13H21N3O3S/c1-9(2)16(5-3-6-17)8-11(18)15-13-10(12(14)19)4-7-20-13/h4,7,9,17H,3,5-6,8H2,1-2H3,(H2,14,19)(H,15,18)
InChIKeyYWSNZRQMUBRESY-UHFFFAOYSA-N
XLogP0.88
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxybutanoylamino)thiophene-3-carboxamide
CID 79193054
2-[[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 107485683
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 8730419
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63646484
2-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanoylamino]thiophene-3-carboxamide
CID 18224965
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43467104
2-[[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 9028907
ethyl 3-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62011447
2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide
CID 55121254
N-(3,4-difluorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62022595
2-(4-aminobutanoylamino)thiophene-3-carboxamide
CID 61251927

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]amino]thiophene-3-carboxamide (CID 62022573) is 2-[[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]amino]thiophene-3-carboxamide is CC(C)N(CCCO)CC(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-[[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is YWSNZRQMUBRESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9(2)16(5-3-6-17)8-11(18)15-13-10(12(14)19)4-7-20-13/h4,7,9,17H,3,5-6,8H2,1-2H3,(H2,14,19)(H,15,18).
What are the key properties of 2-[[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 0.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 62022573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).