methyl 2-[propyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetate

C14H20N2O4S — CID 61224315

IUPACmethyl 2-[propyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C14H20N2O4S/c1-3-7-16(9-13(18)20-2)12(17)4-6-15-14(19)11-5-8-21-10-11/h5,8,10H,3-4,6-7,9H2,1-2H3,(H,15,19)
InChIKeyLGCDMDSZLYMNGR-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.28
Rot. Bonds8

About methyl 2-[propyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetate

methyl 2-[propyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetate (PubChem CID 61224315) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is methyl 2-[propyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetate
PubChem CID61224315
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Namemethyl 2-[propyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C14H20N2O4S/c1-3-7-16(9-13(18)20-2)12(17)4-6-15-14(19)11-5-8-21-10-11/h5,8,10H,3-4,6-7,9H2,1-2H3,(H,15,19)
InChIKeyLGCDMDSZLYMNGR-UHFFFAOYSA-N
XLogP1.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[methoxy(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 60656257
N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 115772753
2-[carboxymethyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetic acid
CID 63645564
methyl 2-[propan-2-yl-[4-(thiophene-3-carbonylamino)butanoyl]amino]acetate
CID 78877964
2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate
CID 86913899
N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 134006121
N-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 78803647
N-[2-(diethylamino)ethyl]thiophene-3-carboxamide
CID 47007987
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 18163378
N-[2-(propylamino)ethyl]thiophene-3-carboxamide
CID 62658821
N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 78803022

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetate?
The IUPAC name of methyl 2-[propyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetate (CID 61224315) is methyl 2-[propyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[propyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetate?
The canonical SMILES for methyl 2-[propyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetate is CCCN(CC(=O)OC)C(=O)CCNC(=O)c1ccsc1.
What is the InChIKey of methyl 2-[propyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetate?
The InChIKey is LGCDMDSZLYMNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-3-7-16(9-13(18)20-2)12(17)4-6-15-14(19)11-5-8-21-10-11/h5,8,10H,3-4,6-7,9H2,1-2H3,(H,15,19).
What are the key properties of methyl 2-[propyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetate?
methyl 2-[propyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetate has a molecular weight of 312.39 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetate is sourced from PubChem (CID 61224315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).