N-[1-[[2-(diethylamino)-3-phenylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide

C23H33N3O3S — CID 43067597

IUPACN-[1-[[2-(diethylamino)-3-phenylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCCN(CC)C(CNC(=O)C(CCSC)NC(=O)c1ccco1)Cc1ccccc1
InChIInChI=1S/C23H33N3O3S/c1-4-26(5-2)19(16-18-10-7-6-8-11-18)17-24-22(27)20(13-15-30-3)25-23(28)21-12-9-14-29-21/h6-12,14,19-20H,4-5,13,15-17H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyOUAYIBFLDHAMMK-UHFFFAOYSA-N
MW431.60 g/mol
LogP3.20
Rot. Bonds13

About N-[1-[[2-(diethylamino)-3-phenylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[1-[[2-(diethylamino)-3-phenylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 43067597) has the molecular formula C23H33N3O3S and a molecular weight of 431.60 g/mol. Its IUPAC name is N-[1-[[2-(diethylamino)-3-phenylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[2-(diethylamino)-3-phenylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID43067597
Molecular FormulaC23H33N3O3S
Molecular Weight431.60 g/mol
Exact Mass431.22
IUPAC NameN-[1-[[2-(diethylamino)-3-phenylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCCN(CC)C(CNC(=O)C(CCSC)NC(=O)c1ccco1)Cc1ccccc1
InChIInChI=1S/C23H33N3O3S/c1-4-26(5-2)19(16-18-10-7-6-8-11-18)17-24-22(27)20(13-15-30-3)25-23(28)21-12-9-14-29-21/h6-12,14,19-20H,4-5,13,15-17H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyOUAYIBFLDHAMMK-UHFFFAOYSA-N
XLogP3.20
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.60
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[[2-(diethylamino)-3-phenylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-4-methylsulfanyl-1-oxo-1-[[(2R)-2-phenylpropyl]amino]butan-2-yl]furan-2-carboxamide
CID 31116257
N-[3-[[2-(diethylamino)-3-phenylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 42958354
N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7872328
N-[(2S)-1-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 38769946
N-[1-[[4-(3-methylphenyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 86970217
N-[(2R)-4-methylsulfanyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)butan-2-yl]furan-2-carboxamide
CID 37393255
N-[4-methylsulfanyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]furan-2-carboxamide
CID 17459688
N-[4-methylsulfanyl-1-oxo-1-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
CID 24541020
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
N-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
CID 27662277
N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 43006661
2-[2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]ethylsulfanyl]acetic acid
CID 119241703

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(diethylamino)-3-phenylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[[2-(diethylamino)-3-phenylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 43067597) is N-[1-[[2-(diethylamino)-3-phenylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[[2-(diethylamino)-3-phenylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[[2-(diethylamino)-3-phenylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide is CCN(CC)C(CNC(=O)C(CCSC)NC(=O)c1ccco1)Cc1ccccc1.
What is the InChIKey of N-[1-[[2-(diethylamino)-3-phenylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is OUAYIBFLDHAMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3S/c1-4-26(5-2)19(16-18-10-7-6-8-11-18)17-24-22(27)20(13-15-30-3)25-23(28)21-12-9-14-29-21/h6-12,14,19-20H,4-5,13,15-17H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[1-[[2-(diethylamino)-3-phenylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[1-[[2-(diethylamino)-3-phenylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 431.60 g/mol, XLogP of 3.20, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(diethylamino)-3-phenylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 43067597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).