2-(cyclopropylmethylamino)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]acetamide

C16H23N3O3S — CID 119798756

IUPAC2-(cyclopropylmethylamino)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CNCC2CC2)cc1N1CCCS1(=O)=O
InChIInChI=1S/C16H23N3O3S/c1-12-3-6-14(18-16(20)11-17-10-13-4-5-13)9-15(12)19-7-2-8-23(19,21)22/h3,6,9,13,17H,2,4-5,7-8,10-11H2,1H3,(H,18,20)
InChIKeyVTVDMQUJKDPYLS-UHFFFAOYSA-N
MW337.44 g/mol
LogP1.47
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]acetamide

2-(cyclopropylmethylamino)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]acetamide (PubChem CID 119798756) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]acetamide
PubChem CID119798756
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name2-(cyclopropylmethylamino)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CNCC2CC2)cc1N1CCCS1(=O)=O
InChIInChI=1S/C16H23N3O3S/c1-12-3-6-14(18-16(20)11-17-10-13-4-5-13)9-15(12)19-7-2-8-23(19,21)22/h3,6,9,13,17H,2,4-5,7-8,10-11H2,1H3,(H,18,20)
InChIKeyVTVDMQUJKDPYLS-UHFFFAOYSA-N
XLogP1.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-(oxan-2-yl)acetamide
CID 110623141
ethyl 2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylanilino]-2-oxoacetate
CID 112505824
4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]pentanamide
CID 120563198
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-(oxan-4-yl)urea
CID 110623135
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119798751
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120635208
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]thiophene-2-carboxamide
CID 71683874
2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-methylpentanamide
CID 119798780
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110623140
4-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]carbamoylamino]-4-methylpentanoic acid
CID 122085450
(6S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97070923

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]acetamide (CID 119798756) is 2-(cyclopropylmethylamino)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]acetamide is Cc1ccc(NC(=O)CNCC2CC2)cc1N1CCCS1(=O)=O.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]acetamide?
The InChIKey is VTVDMQUJKDPYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-12-3-6-14(18-16(20)11-17-10-13-4-5-13)9-15(12)19-7-2-8-23(19,21)22/h3,6,9,13,17H,2,4-5,7-8,10-11H2,1H3,(H,18,20).
What are the key properties of 2-(cyclopropylmethylamino)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]acetamide?
2-(cyclopropylmethylamino)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]acetamide has a molecular weight of 337.44 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]acetamide is sourced from PubChem (CID 119798756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).