N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide

C18H23N3O2S — CID 120648959

IUPACN-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C18H23N3O2S/c19-9-4-11-21(13-15-5-2-1-3-6-15)17(22)7-10-20-18(23)16-8-12-24-14-16/h1-3,5-6,8,12,14H,4,7,9-11,13,19H2,(H,20,23)
InChIKeyMBJISWPKBPQSQD-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.25
Rot. Bonds9

About N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 120648959) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID120648959
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C18H23N3O2S/c19-9-4-11-21(13-15-5-2-1-3-6-15)17(22)7-10-20-18(23)16-8-12-24-14-16/h1-3,5-6,8,12,14H,4,7,9-11,13,19H2,(H,20,23)
InChIKeyMBJISWPKBPQSQD-UHFFFAOYSA-N
XLogP2.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 120648958
N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 24555383
N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]-4-fluorobenzamide
CID 120649087
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 18272017
N-[3-(2-benzyl-2-phenylhydrazinyl)-3-oxopropyl]thiophene-3-carboxamide
CID 39476486
2-[carboxymethyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetic acid
CID 63645564
N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 78803022
N-(3-aminopropyl)-N-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 120649291
N-[3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 18113918
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 120649533
N-(3-aminopropyl)-N-benzyl-4-thiophen-2-ylbutanamide;hydrochloride
CID 120649485

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide (CID 120648959) is N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide is NCCCN(Cc1ccccc1)C(=O)CCNC(=O)c1ccsc1.
What is the InChIKey of N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is MBJISWPKBPQSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c19-9-4-11-21(13-15-5-2-1-3-6-15)17(22)7-10-20-18(23)16-8-12-24-14-16/h1-3,5-6,8,12,14H,4,7,9-11,13,19H2,(H,20,23).
What are the key properties of N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 120648959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).