5-(acetamidomethyl)-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride

C12H20ClN3O2S — CID 120832947

IUPAC5-(acetamidomethyl)-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(CNC(C)=O)s1.Cl
InChIInChI=1S/C12H19N3O2S.ClH/c1-8(13-3)6-15-12(17)11-5-4-10(18-11)7-14-9(2)16;/h4-5,8,13H,6-7H2,1-3H3,(H,14,16)(H,15,17);1H
InChIKeyPRBRPPLRUQKJLB-UHFFFAOYSA-N
MW305.83 g/mol
LogP1.14
Rot. Bonds6

About 5-(acetamidomethyl)-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride

5-(acetamidomethyl)-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 120832947) has the molecular formula C12H20ClN3O2S and a molecular weight of 305.83 g/mol. Its IUPAC name is 5-(acetamidomethyl)-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(acetamidomethyl)-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
PubChem CID120832947
Molecular FormulaC12H20ClN3O2S
Molecular Weight305.83 g/mol
Exact Mass305.10
IUPAC Name5-(acetamidomethyl)-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(CNC(C)=O)s1.Cl
InChIInChI=1S/C12H19N3O2S.ClH/c1-8(13-3)6-15-12(17)11-5-4-10(18-11)7-14-9(2)16;/h4-5,8,13H,6-7H2,1-3H3,(H,14,16)(H,15,17);1H
InChIKeyPRBRPPLRUQKJLB-UHFFFAOYSA-N
XLogP1.14
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120831726
4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120830510
5-(acetamidomethyl)-N-[3-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 60610459
5-ethyl-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031120
4-ethyl-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120829701
N-[[5-[(2R)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]thiophen-2-yl]methyl]acetamide
CID 40819042
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 46644557
5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120827801
5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 120830486
N-[(2R)-2-(ethylamino)propyl]-5-methylthiophene-2-carboxamide;hydrochloride
CID 120653284
5-(acetamidomethyl)-N-(2-tert-butylpyrimidin-5-yl)thiophene-2-carboxamide
CID 71936648
5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide
CID 3490004

Frequently Asked Questions

What is the IUPAC name of 5-(acetamidomethyl)-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-(acetamidomethyl)-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride (CID 120832947) is 5-(acetamidomethyl)-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-(acetamidomethyl)-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-(acetamidomethyl)-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride is CNC(C)CNC(=O)c1ccc(CNC(C)=O)s1.Cl.
What is the InChIKey of 5-(acetamidomethyl)-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is PRBRPPLRUQKJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S.ClH/c1-8(13-3)6-15-12(17)11-5-4-10(18-11)7-14-9(2)16;/h4-5,8,13H,6-7H2,1-3H3,(H,14,16)(H,15,17);1H.
What are the key properties of 5-(acetamidomethyl)-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride?
5-(acetamidomethyl)-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 305.83 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acetamidomethyl)-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120832947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).