N-[3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-3-oxopropyl]thiophene-2-carboxamide

C18H21N3O3S — CID 38746463

IUPACN-[3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)CCNC(=O)c2cccs2)cc1
InChIInChI=1S/C18H21N3O3S/c1-19-17(23)14-7-5-13(6-8-14)12-21(2)16(22)9-10-20-18(24)15-4-3-11-25-15/h3-8,11H,9-10,12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyWOOQNCFFBNZOGQ-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.89
Rot. Bonds7

About N-[3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 38746463) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID38746463
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)CCNC(=O)c2cccs2)cc1
InChIInChI=1S/C18H21N3O3S/c1-19-17(23)14-7-5-13(6-8-14)12-21(2)16(22)9-10-20-18(24)15-4-3-11-25-15/h3-8,11H,9-10,12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyWOOQNCFFBNZOGQ-UHFFFAOYSA-N
XLogP1.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(carbamoylamino)propanoyl-methylamino]methyl]-N-methylbenzamide
CID 8967214
N-[3-[(5-bromothiophen-3-yl)methyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 86839463
N-[3-[(4-bromothiophen-2-yl)methyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55742991
N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18114369
N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 31370204
4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-4-oxobutanoic acid
CID 60699252
N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 78794285
4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide
CID 7779935
4-[[[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]-methylamino]methyl]-N-methylbenzamide
CID 38744358
N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 51183578
N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide
CID 30877774
N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51188243

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-3-oxopropyl]thiophene-2-carboxamide (CID 38746463) is N-[3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-3-oxopropyl]thiophene-2-carboxamide is CNC(=O)c1ccc(CN(C)C(=O)CCNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is WOOQNCFFBNZOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-19-17(23)14-7-5-13(6-8-14)12-21(2)16(22)9-10-20-18(24)15-4-3-11-25-15/h3-8,11H,9-10,12H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-[3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 38746463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).