N-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide

C16H21N5O3S2 — CID 55499702

IUPACN-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C16H21N5O3S2/c1-12(20-7-9-21(10-8-20)16-18-6-11-25-16)15(22)19-13-2-4-14(5-3-13)26(17,23)24/h2-6,11-12H,7-10H2,1H3,(H,19,22)(H2,17,23,24)
InChIKeySNHBXNZHJLNBBU-UHFFFAOYSA-N
MW395.51 g/mol
LogP0.94
Rot. Bonds5

About N-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide

N-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide (PubChem CID 55499702) has the molecular formula C16H21N5O3S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
PubChem CID55499702
Molecular FormulaC16H21N5O3S2
Molecular Weight395.51 g/mol
Exact Mass395.11
IUPAC NameN-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C16H21N5O3S2/c1-12(20-7-9-21(10-8-20)16-18-6-11-25-16)15(22)19-13-2-4-14(5-3-13)26(17,23)24/h2-6,11-12H,7-10H2,1H3,(H,19,22)(H2,17,23,24)
InChIKeySNHBXNZHJLNBBU-UHFFFAOYSA-N
XLogP0.94
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 51311966
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 42911835
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 55499698
(2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 30138516
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 18136601
(2S)-N-(4-sulfamoylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 29431320
N-prop-2-ynyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 86919342
2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 42996416
2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 42998927
(2R)-N-tert-butyl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 94796371
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 43063725
(2S)-N-(2-chlorophenyl)-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 52507095

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide (CID 55499702) is N-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide is CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(c2nccs2)CC1.
What is the InChIKey of N-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The InChIKey is SNHBXNZHJLNBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S2/c1-12(20-7-9-21(10-8-20)16-18-6-11-25-16)15(22)19-13-2-4-14(5-3-13)26(17,23)24/h2-6,11-12H,7-10H2,1H3,(H,19,22)(H2,17,23,24).
What are the key properties of N-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
N-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide has a molecular weight of 395.51 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 55499702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).