N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

C19H22N4O4S — CID 56557256

IUPACN-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESNC(=O)CCSc1ccccc1NC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H22N4O4S/c20-17(24)7-13-28-16-6-2-1-4-14(16)21-19(26)23-10-8-22(9-11-23)18(25)15-5-3-12-27-15/h1-6,12H,7-11,13H2,(H2,20,24)(H,21,26)
InChIKeyXMXCHXODOZQRSK-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.24
Rot. Bonds6

About N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide (PubChem CID 56557256) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
PubChem CID56557256
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC NameN-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESNC(=O)CCSc1ccccc1NC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H22N4O4S/c20-17(24)7-13-28-16-6-2-1-4-14(16)21-19(26)23-10-8-22(9-11-23)18(25)15-5-3-12-27-15/h1-6,12H,7-11,13H2,(H2,20,24)(H,21,26)
InChIKeyXMXCHXODOZQRSK-UHFFFAOYSA-N
XLogP2.24
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2100948
N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 56586770
1-[[2-(3-amino-3-oxopropyl)sulfanylphenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102324
4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 136577040
N-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 20506465
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 34469189
N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2204977
4-amino-N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]butanamide;hydrochloride
CID 119317704
4-(furan-2-carbonyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide
CID 18582437
4-(furan-2-carbonyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 108886897
4-(furan-2-carbonyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 52624883
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide (CID 56557256) is N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide is NC(=O)CCSc1ccccc1NC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is XMXCHXODOZQRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c20-17(24)7-13-28-16-6-2-1-4-14(16)21-19(26)23-10-8-22(9-11-23)18(25)15-5-3-12-27-15/h1-6,12H,7-11,13H2,(H2,20,24)(H,21,26).
What are the key properties of N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 56557256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).