4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide;hydrochloride

C15H26ClN3O2S — CID 129318500

IUPAC4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide;hydrochloride
SMILESCCCNC(=O)c1scc(C)c1NC(=O)C(C)NCCC.Cl
InChIInChI=1S/C15H25N3O2S.ClH/c1-5-7-16-11(4)14(19)18-12-10(3)9-21-13(12)15(20)17-8-6-2;/h9,11,16H,5-8H2,1-4H3,(H,17,20)(H,18,19);1H
InChIKeyKHQOKUKYDYCOFL-UHFFFAOYSA-N
MW347.91 g/mol
LogP2.94
Rot. Bonds8

About 4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide;hydrochloride

4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide;hydrochloride (PubChem CID 129318500) has the molecular formula C15H26ClN3O2S and a molecular weight of 347.91 g/mol. Its IUPAC name is 4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide;hydrochloride
PubChem CID129318500
Molecular FormulaC15H26ClN3O2S
Molecular Weight347.91 g/mol
Exact Mass347.14
IUPAC Name4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide;hydrochloride
SMILESCCCNC(=O)c1scc(C)c1NC(=O)C(C)NCCC.Cl
InChIInChI=1S/C15H25N3O2S.ClH/c1-5-7-16-11(4)14(19)18-12-10(3)9-21-13(12)15(20)17-8-6-2;/h9,11,16H,5-8H2,1-4H3,(H,17,20)(H,18,19);1H
InChIKeyKHQOKUKYDYCOFL-UHFFFAOYSA-N
XLogP2.94
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.91
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodo-4-methylthiophene-2-carboxamide
CID 99826461
tert-butyl N-[2-[[3-[[2-(4-fluoro-4-methylpiperidin-1-yl)acetyl]amino]-4-methylthiophene-2-carbonyl]amino]ethyl]-N-methylcarbamate
CID 176328924
3-(2-methylpropyl)-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione
CID 135007549
3-propan-2-yl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione
CID 135059869
Articaine acid propionamide
CID 129318501
3-amino-N,4-dimethylthiophene-2-carboxamide
CID 67264523
3-(2-methylpropanoylamino)-N-propylthiophene-2-carboxamide
CID 68573099
7-Ethenyl-3-methyl-8-prop-1-en-2-yl-1,2,3,4-tetrahydrothieno[3,2-e][1,4]diazepin-5-one
CID 123817515
N,4-dimethyl-3-(methylideneamino)thiophene-2-carboxamide
CID 126690434
[3-Acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid
CID 139536216
4-acetamido-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 139536275
N-butyl-2-(7-methyl-2,4-dioxo-1-pentylthieno[3,2-d]pyrimidin-3-yl)acetamide
CID 141463438

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide;hydrochloride (CID 129318500) is 4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide;hydrochloride is CCCNC(=O)c1scc(C)c1NC(=O)C(C)NCCC.Cl.
What is the InChIKey of 4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide;hydrochloride?
The InChIKey is KHQOKUKYDYCOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S.ClH/c1-5-7-16-11(4)14(19)18-12-10(3)9-21-13(12)15(20)17-8-6-2;/h9,11,16H,5-8H2,1-4H3,(H,17,20)(H,18,19);1H.
What are the key properties of 4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide;hydrochloride?
4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide;hydrochloride has a molecular weight of 347.91 g/mol, XLogP of 2.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 129318500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).